USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1140 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 95 GLN : amide:sc= 0.472 X(o=0.56,f=0.44) USER MOD Set 1.2: B 98 ASN : amide:sc= 0.0897 X(o=0.56,f=0.44) USER MOD Set 2.1: A 32 ASN : amide:sc= 0.132 X(o=0.27,f=-0.033) USER MOD Set 2.2: A 38 LYS NZ :NH3+ 155:sc= 0.135 (180deg=0) USER MOD Set 3.1: A 29 GLN : amide:sc= 0.888 K(o=2.1,f=0.96) USER MOD Set 3.2: A 39 TYR OH : rot 20:sc= 1.16 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.32 (180deg=-1.09) USER MOD Single : A 1 MET N :NH3+ -179:sc= 2 (180deg=1.94) USER MOD Single : A 4 ASN : amide:sc= -0.405 K(o=-0.41,f=-8.5!) USER MOD Single : A 5 ASN : amide:sc= 0.937 K(o=0.94,f=-0.13) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 139:sc= 0.799 (180deg=-0.0203) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= 1.21 (180deg=1.13) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.0909 (180deg=-0.472) USER MOD Single : A 16 SER OG : rot 82:sc= 1.18 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 18 SER OG : rot 179:sc= 0.133 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.199 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc=-0.00385 X(o=-0.0038,f=-0.014) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 55 THR OG1 : rot -140:sc= -0.0885 USER MOD Single : A 62 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.8!) USER MOD Single : A 64 GLN : amide:sc= -0.385 K(o=-0.39,f=-4!) USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 70 ASN : amide:sc= -0.763 K(o=-0.76,f=-5.5!) USER MOD Single : B 71 ASN : amide:sc= -1.68! K(o=-1.7!,f=0) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 LYS NZ :NH3+ 166:sc= -0.0115 (180deg=-0.21) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 GLN : amide:sc= 1.07 K(o=1.1,f=-6.6!) USER MOD Single : B 84 SER OG : rot 180:sc= 0.0336 USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 96 THR OG1 : rot 87:sc= 0 USER MOD Single : B 102 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0921) USER MOD Single : B 103 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc=-0.00364 X(o=-0.0036,f=0) USER MOD Single : B 108 SER OG : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -1.94 K(o=-1.9,f=-2.5!) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 TYR OH : rot 180:sc= 0 USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 ASN : amide:sc= -0.0166 K(o=-0.017,f=-1.3!) USER MOD Single : B 121 THR OG1 : rot 180:sc=-0.00598 USER MOD Single : B 128 GLN : amide:sc=-0.00201 X(o=-0.002,f=0) USER MOD Single : B 130 GLN : amide:sc= -0.818 K(o=-0.82,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.247 -5.906 3.679 1.00 4.52 N ATOM 2 CA MET A 1 10.873 -6.430 4.981 1.00 15.43 C ATOM 3 C MET A 1 9.421 -6.181 5.246 1.00 54.41 C ATOM 4 O MET A 1 8.974 -5.034 5.259 1.00 33.23 O ATOM 5 CB MET A 1 11.716 -5.811 6.091 1.00 32.24 C ATOM 6 CG MET A 1 13.105 -6.389 6.227 1.00 0.23 C ATOM 7 SD MET A 1 13.071 -8.093 6.808 1.00 54.32 S ATOM 8 CE MET A 1 12.261 -7.885 8.398 1.00 74.51 C ATOM 0 H1 MET A 1 12.253 -6.101 3.502 1.00 4.52 H new ATOM 0 H2 MET A 1 10.671 -6.362 2.943 1.00 4.52 H new ATOM 0 H3 MET A 1 11.085 -4.879 3.659 1.00 4.52 H new ATOM 0 HA MET A 1 11.057 -7.504 4.971 1.00 15.43 H new ATOM 0 HB2 MET A 1 11.799 -4.739 5.910 1.00 32.24 H new ATOM 0 HB3 MET A 1 11.192 -5.935 7.039 1.00 32.24 H new ATOM 0 HG2 MET A 1 13.612 -6.344 5.263 1.00 0.23 H new ATOM 0 HG3 MET A 1 13.685 -5.781 6.921 1.00 0.23 H new ATOM 0 HE1 MET A 1 12.689 -8.582 9.118 1.00 74.51 H new ATOM 0 HE2 MET A 1 12.407 -6.864 8.750 1.00 74.51 H new ATOM 0 HE3 MET A 1 11.194 -8.083 8.292 1.00 74.51 H new ATOM 20 N ILE A 2 8.687 -7.234 5.444 1.00 22.43 N ATOM 21 CA ILE A 2 7.286 -7.141 5.749 1.00 32.41 C ATOM 22 C ILE A 2 7.013 -7.850 7.066 1.00 45.13 C ATOM 23 O ILE A 2 7.487 -8.971 7.300 1.00 32.11 O ATOM 24 CB ILE A 2 6.388 -7.724 4.596 1.00 73.54 C ATOM 25 CG1 ILE A 2 6.534 -6.883 3.303 1.00 72.41 C ATOM 26 CG2 ILE A 2 4.912 -7.824 5.009 1.00 51.03 C ATOM 27 CD1 ILE A 2 6.116 -5.429 3.445 1.00 54.01 C ATOM 0 H ILE A 2 9.043 -8.189 5.399 1.00 22.43 H new ATOM 0 HA ILE A 2 7.023 -6.087 5.841 1.00 32.41 H new ATOM 0 HB ILE A 2 6.741 -8.736 4.397 1.00 73.54 H new ATOM 0 HG12 ILE A 2 7.574 -6.919 2.977 1.00 72.41 H new ATOM 0 HG13 ILE A 2 5.937 -7.344 2.516 1.00 72.41 H new ATOM 0 HG21 ILE A 2 4.330 -8.231 4.182 1.00 51.03 H new ATOM 0 HG22 ILE A 2 4.820 -8.479 5.875 1.00 51.03 H new ATOM 0 HG23 ILE A 2 4.537 -6.832 5.263 1.00 51.03 H new ATOM 0 HD11 ILE A 2 6.251 -4.917 2.492 1.00 54.01 H new ATOM 0 HD12 ILE A 2 5.067 -5.379 3.738 1.00 54.01 H new ATOM 0 HD13 ILE A 2 6.729 -4.947 4.207 1.00 54.01 H new ATOM 39 N ILE A 3 6.301 -7.183 7.920 1.00 31.31 N ATOM 40 CA ILE A 3 5.912 -7.699 9.200 1.00 25.12 C ATOM 41 C ILE A 3 4.405 -7.603 9.235 1.00 13.31 C ATOM 42 O ILE A 3 3.847 -6.517 9.096 1.00 33.20 O ATOM 43 CB ILE A 3 6.554 -6.883 10.363 1.00 23.21 C ATOM 44 CG1 ILE A 3 8.095 -6.960 10.271 1.00 63.44 C ATOM 45 CG2 ILE A 3 6.069 -7.393 11.718 1.00 51.22 C ATOM 46 CD1 ILE A 3 8.833 -6.183 11.341 1.00 2.41 C ATOM 0 H ILE A 3 5.964 -6.237 7.743 1.00 31.31 H new ATOM 0 HA ILE A 3 6.253 -8.726 9.334 1.00 25.12 H new ATOM 0 HB ILE A 3 6.247 -5.841 10.269 1.00 23.21 H new ATOM 0 HG12 ILE A 3 8.397 -8.006 10.327 1.00 63.44 H new ATOM 0 HG13 ILE A 3 8.406 -6.591 9.294 1.00 63.44 H new ATOM 0 HG21 ILE A 3 6.531 -6.808 12.513 1.00 51.22 H new ATOM 0 HG22 ILE A 3 4.985 -7.294 11.777 1.00 51.22 H new ATOM 0 HG23 ILE A 3 6.344 -8.441 11.832 1.00 51.22 H new ATOM 0 HD11 ILE A 3 9.908 -6.295 11.196 1.00 2.41 H new ATOM 0 HD12 ILE A 3 8.566 -5.128 11.274 1.00 2.41 H new ATOM 0 HD13 ILE A 3 8.557 -6.565 12.324 1.00 2.41 H new ATOM 58 N ASN A 4 3.752 -8.707 9.359 1.00 20.22 N ATOM 59 CA ASN A 4 2.319 -8.732 9.214 1.00 24.23 C ATOM 60 C ASN A 4 1.607 -8.754 10.565 1.00 32.00 C ATOM 61 O ASN A 4 1.932 -9.565 11.440 1.00 60.31 O ATOM 62 CB ASN A 4 1.920 -9.933 8.356 1.00 41.35 C ATOM 63 CG ASN A 4 0.452 -9.974 8.077 1.00 44.33 C ATOM 64 OD1 ASN A 4 -0.198 -8.946 8.031 1.00 51.44 O ATOM 65 ND2 ASN A 4 -0.084 -11.143 7.888 1.00 33.01 N ATOM 0 H ASN A 4 4.179 -9.611 9.561 1.00 20.22 H new ATOM 0 HA ASN A 4 2.005 -7.814 8.717 1.00 24.23 H new ATOM 0 HB2 ASN A 4 2.465 -9.899 7.413 1.00 41.35 H new ATOM 0 HB3 ASN A 4 2.216 -10.852 8.862 1.00 41.35 H new ATOM 0 HD21 ASN A 4 -1.082 -11.221 7.693 1.00 33.01 H new ATOM 0 HD22 ASN A 4 0.494 -11.982 7.934 1.00 33.01 H new ATOM 72 N ASN A 5 0.633 -7.869 10.724 1.00 65.43 N ATOM 73 CA ASN A 5 -0.137 -7.746 11.971 1.00 54.20 C ATOM 74 C ASN A 5 -1.591 -8.074 11.692 1.00 74.31 C ATOM 75 O ASN A 5 -2.453 -7.844 12.530 1.00 70.34 O ATOM 76 CB ASN A 5 -0.094 -6.306 12.521 1.00 72.22 C ATOM 77 CG ASN A 5 1.283 -5.766 12.823 1.00 20.33 C ATOM 78 OD1 ASN A 5 2.204 -6.501 13.196 1.00 62.01 O ATOM 79 ND2 ASN A 5 1.436 -4.476 12.657 1.00 62.53 N ATOM 0 H ASN A 5 0.348 -7.212 9.997 1.00 65.43 H new ATOM 0 HA ASN A 5 0.302 -8.429 12.698 1.00 54.20 H new ATOM 0 HB2 ASN A 5 -0.574 -5.645 11.799 1.00 72.22 H new ATOM 0 HB3 ASN A 5 -0.689 -6.266 13.434 1.00 72.22 H new ATOM 0 HD21 ASN A 5 2.342 -4.042 12.837 1.00 62.53 H new ATOM 0 HD22 ASN A 5 0.650 -3.905 12.348 1.00 62.53 H new ATOM 86 N LEU A 6 -1.842 -8.628 10.513 1.00 31.42 N ATOM 87 CA LEU A 6 -3.193 -8.951 10.016 1.00 41.12 C ATOM 88 C LEU A 6 -4.040 -9.713 11.061 1.00 32.41 C ATOM 89 O LEU A 6 -5.216 -9.393 11.269 1.00 15.34 O ATOM 90 CB LEU A 6 -3.053 -9.694 8.647 1.00 22.14 C ATOM 91 CG LEU A 6 -4.293 -10.193 7.882 1.00 2.34 C ATOM 92 CD1 LEU A 6 -4.807 -11.493 8.444 1.00 11.20 C ATOM 93 CD2 LEU A 6 -5.389 -9.142 7.865 1.00 33.32 C ATOM 0 H LEU A 6 -1.103 -8.874 9.854 1.00 31.42 H new ATOM 0 HA LEU A 6 -3.754 -8.032 9.847 1.00 41.12 H new ATOM 0 HB2 LEU A 6 -2.512 -9.027 7.976 1.00 22.14 H new ATOM 0 HB3 LEU A 6 -2.414 -10.560 8.818 1.00 22.14 H new ATOM 0 HG LEU A 6 -3.984 -10.377 6.853 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -5.682 -11.813 7.878 1.00 11.20 H new ATOM 0 HD12 LEU A 6 -4.030 -12.254 8.371 1.00 11.20 H new ATOM 0 HD13 LEU A 6 -5.082 -11.354 9.490 1.00 11.20 H new ATOM 0 HD21 LEU A 6 -6.251 -9.524 7.318 1.00 33.32 H new ATOM 0 HD22 LEU A 6 -5.684 -8.907 8.888 1.00 33.32 H new ATOM 0 HD23 LEU A 6 -5.020 -8.240 7.377 1.00 33.32 H new ATOM 105 N LYS A 7 -3.439 -10.676 11.726 1.00 14.34 N ATOM 106 CA LYS A 7 -4.119 -11.449 12.758 1.00 42.10 C ATOM 107 C LYS A 7 -4.542 -10.582 13.948 1.00 53.11 C ATOM 108 O LYS A 7 -5.637 -10.739 14.469 1.00 74.22 O ATOM 109 CB LYS A 7 -3.264 -12.640 13.214 1.00 5.41 C ATOM 110 CG LYS A 7 -1.870 -12.289 13.732 1.00 35.52 C ATOM 111 CD LYS A 7 -1.103 -13.543 14.116 1.00 25.45 C ATOM 112 CE LYS A 7 -1.778 -14.277 15.261 1.00 12.21 C ATOM 113 NZ LYS A 7 -1.132 -15.568 15.549 1.00 61.12 N ATOM 0 H LYS A 7 -2.468 -10.949 11.572 1.00 14.34 H new ATOM 0 HA LYS A 7 -5.032 -11.841 12.311 1.00 42.10 H new ATOM 0 HB2 LYS A 7 -3.801 -13.171 14.000 1.00 5.41 H new ATOM 0 HB3 LYS A 7 -3.158 -13.331 12.377 1.00 5.41 H new ATOM 0 HG2 LYS A 7 -1.320 -11.742 12.966 1.00 35.52 H new ATOM 0 HG3 LYS A 7 -1.954 -11.630 14.596 1.00 35.52 H new ATOM 0 HD2 LYS A 7 -1.028 -14.204 13.252 1.00 25.45 H new ATOM 0 HD3 LYS A 7 -0.086 -13.276 14.403 1.00 25.45 H new ATOM 0 HE2 LYS A 7 -1.755 -13.653 16.155 1.00 12.21 H new ATOM 0 HE3 LYS A 7 -2.827 -14.444 15.016 1.00 12.21 H new ATOM 0 HZ1 LYS A 7 -1.625 -16.035 16.337 1.00 61.12 H new ATOM 0 HZ2 LYS A 7 -1.176 -16.174 14.705 1.00 61.12 H new ATOM 0 HZ3 LYS A 7 -0.138 -15.408 15.809 1.00 61.12 H new ATOM 127 N LEU A 8 -3.681 -9.656 14.347 1.00 3.54 N ATOM 128 CA LEU A 8 -3.953 -8.757 15.458 1.00 24.22 C ATOM 129 C LEU A 8 -5.139 -7.846 15.109 1.00 33.32 C ATOM 130 O LEU A 8 -6.014 -7.615 15.935 1.00 35.35 O ATOM 131 CB LEU A 8 -2.651 -7.963 15.809 1.00 15.15 C ATOM 132 CG LEU A 8 -2.617 -7.092 17.099 1.00 23.14 C ATOM 133 CD1 LEU A 8 -3.427 -5.812 16.966 1.00 50.24 C ATOM 134 CD2 LEU A 8 -3.083 -7.897 18.306 1.00 34.11 C ATOM 0 H LEU A 8 -2.772 -9.507 13.908 1.00 3.54 H new ATOM 0 HA LEU A 8 -4.239 -9.317 16.348 1.00 24.22 H new ATOM 0 HB2 LEU A 8 -1.836 -8.683 15.878 1.00 15.15 H new ATOM 0 HB3 LEU A 8 -2.428 -7.309 14.966 1.00 15.15 H new ATOM 0 HG LEU A 8 -1.579 -6.795 17.249 1.00 23.14 H new ATOM 0 HD11 LEU A 8 -3.367 -5.245 17.895 1.00 50.24 H new ATOM 0 HD12 LEU A 8 -3.028 -5.212 16.148 1.00 50.24 H new ATOM 0 HD13 LEU A 8 -4.468 -6.060 16.759 1.00 50.24 H new ATOM 0 HD21 LEU A 8 -3.051 -7.269 19.196 1.00 34.11 H new ATOM 0 HD22 LEU A 8 -4.104 -8.242 18.141 1.00 34.11 H new ATOM 0 HD23 LEU A 8 -2.428 -8.757 18.445 1.00 34.11 H new ATOM 146 N ILE A 9 -5.185 -7.378 13.870 1.00 72.34 N ATOM 147 CA ILE A 9 -6.306 -6.551 13.395 1.00 55.53 C ATOM 148 C ILE A 9 -7.595 -7.383 13.364 1.00 3.21 C ATOM 149 O ILE A 9 -8.686 -6.896 13.690 1.00 40.20 O ATOM 150 CB ILE A 9 -6.021 -5.830 12.016 1.00 33.31 C ATOM 151 CG1 ILE A 9 -5.055 -4.636 12.186 1.00 5.53 C ATOM 152 CG2 ILE A 9 -7.302 -5.347 11.348 1.00 15.31 C ATOM 153 CD1 ILE A 9 -3.661 -4.978 12.636 1.00 1.24 C ATOM 0 H ILE A 9 -4.464 -7.552 13.169 1.00 72.34 H new ATOM 0 HA ILE A 9 -6.434 -5.737 14.109 1.00 55.53 H new ATOM 0 HB ILE A 9 -5.554 -6.578 11.375 1.00 33.31 H new ATOM 0 HG12 ILE A 9 -4.990 -4.108 11.235 1.00 5.53 H new ATOM 0 HG13 ILE A 9 -5.489 -3.942 12.906 1.00 5.53 H new ATOM 0 HG21 ILE A 9 -7.058 -4.858 10.405 1.00 15.31 H new ATOM 0 HG22 ILE A 9 -7.956 -6.198 11.158 1.00 15.31 H new ATOM 0 HG23 ILE A 9 -7.809 -4.639 12.003 1.00 15.31 H new ATOM 0 HD11 ILE A 9 -3.072 -4.065 12.721 1.00 1.24 H new ATOM 0 HD12 ILE A 9 -3.703 -5.475 13.605 1.00 1.24 H new ATOM 0 HD13 ILE A 9 -3.196 -5.643 11.908 1.00 1.24 H new ATOM 165 N ARG A 10 -7.456 -8.636 12.993 1.00 23.44 N ATOM 166 CA ARG A 10 -8.564 -9.575 13.023 1.00 2.23 C ATOM 167 C ARG A 10 -9.080 -9.792 14.424 1.00 61.23 C ATOM 168 O ARG A 10 -10.243 -10.090 14.591 1.00 0.10 O ATOM 169 CB ARG A 10 -8.207 -10.887 12.353 1.00 24.15 C ATOM 170 CG ARG A 10 -8.223 -10.795 10.852 1.00 71.12 C ATOM 171 CD ARG A 10 -7.575 -11.989 10.206 1.00 32.20 C ATOM 172 NE ARG A 10 -8.149 -13.274 10.590 1.00 64.13 N ATOM 173 CZ ARG A 10 -7.907 -14.415 9.948 1.00 4.20 C ATOM 174 NH1 ARG A 10 -7.336 -14.392 8.748 1.00 64.25 N ATOM 175 NH2 ARG A 10 -8.283 -15.558 10.484 1.00 51.23 N ATOM 0 H ARG A 10 -6.577 -9.035 12.663 1.00 23.44 H new ATOM 0 HA ARG A 10 -9.374 -9.127 12.448 1.00 2.23 H new ATOM 0 HB2 ARG A 10 -7.217 -11.201 12.683 1.00 24.15 H new ATOM 0 HB3 ARG A 10 -8.909 -11.657 12.673 1.00 24.15 H new ATOM 0 HG2 ARG A 10 -9.253 -10.710 10.505 1.00 71.12 H new ATOM 0 HG3 ARG A 10 -7.705 -9.888 10.539 1.00 71.12 H new ATOM 0 HD2 ARG A 10 -7.646 -11.883 9.123 1.00 32.20 H new ATOM 0 HD3 ARG A 10 -6.514 -11.990 10.457 1.00 32.20 H new ATOM 0 HE ARG A 10 -8.772 -13.300 11.397 1.00 64.13 H new ATOM 0 HH11 ARG A 10 -7.084 -13.501 8.320 1.00 64.25 H new ATOM 0 HH12 ARG A 10 -7.150 -15.265 8.255 1.00 64.25 H new ATOM 0 HH21 ARG A 10 -8.757 -15.566 11.387 1.00 51.23 H new ATOM 0 HH22 ARG A 10 -8.100 -16.435 9.996 1.00 51.23 H new ATOM 189 N GLU A 11 -8.194 -9.744 15.412 1.00 3.43 N ATOM 190 CA GLU A 11 -8.593 -9.761 16.816 1.00 32.25 C ATOM 191 C GLU A 11 -9.263 -8.439 17.238 1.00 23.22 C ATOM 192 O GLU A 11 -10.119 -8.421 18.131 1.00 24.24 O ATOM 193 CB GLU A 11 -7.431 -10.135 17.733 1.00 73.21 C ATOM 194 CG GLU A 11 -6.894 -11.525 17.453 1.00 31.54 C ATOM 195 CD GLU A 11 -5.899 -11.999 18.487 1.00 75.21 C ATOM 196 OE1 GLU A 11 -6.310 -12.300 19.614 1.00 52.20 O ATOM 197 OE2 GLU A 11 -4.690 -12.116 18.175 1.00 73.43 O ATOM 0 H GLU A 11 -7.186 -9.693 15.265 1.00 3.43 H new ATOM 0 HA GLU A 11 -9.344 -10.543 16.925 1.00 32.25 H new ATOM 0 HB2 GLU A 11 -6.628 -9.408 17.612 1.00 73.21 H new ATOM 0 HB3 GLU A 11 -7.759 -10.078 18.771 1.00 73.21 H new ATOM 0 HG2 GLU A 11 -7.727 -12.227 17.411 1.00 31.54 H new ATOM 0 HG3 GLU A 11 -6.420 -11.533 16.472 1.00 31.54 H new ATOM 204 N LYS A 12 -8.800 -7.322 16.650 1.00 12.34 N ATOM 205 CA LYS A 12 -9.413 -5.987 16.860 1.00 0.30 C ATOM 206 C LYS A 12 -10.897 -5.977 16.436 1.00 41.03 C ATOM 207 O LYS A 12 -11.726 -5.333 17.068 1.00 70.21 O ATOM 208 CB LYS A 12 -8.598 -4.883 16.137 1.00 31.15 C ATOM 209 CG LYS A 12 -7.199 -4.681 16.730 1.00 63.14 C ATOM 210 CD LYS A 12 -6.300 -3.741 15.904 1.00 63.03 C ATOM 211 CE LYS A 12 -6.860 -2.333 15.768 1.00 13.30 C ATOM 212 NZ LYS A 12 -5.883 -1.403 15.132 1.00 22.43 N ATOM 0 H LYS A 12 -7.998 -7.312 16.020 1.00 12.34 H new ATOM 0 HA LYS A 12 -9.385 -5.768 17.927 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.505 -5.141 15.082 1.00 31.15 H new ATOM 0 HB3 LYS A 12 -9.147 -3.943 16.188 1.00 31.15 H new ATOM 0 HG2 LYS A 12 -7.297 -4.280 17.739 1.00 63.14 H new ATOM 0 HG3 LYS A 12 -6.709 -5.651 16.819 1.00 63.14 H new ATOM 0 HD2 LYS A 12 -5.316 -3.689 16.370 1.00 63.03 H new ATOM 0 HD3 LYS A 12 -6.160 -4.166 14.910 1.00 63.03 H new ATOM 0 HE2 LYS A 12 -7.773 -2.362 15.174 1.00 13.30 H new ATOM 0 HE3 LYS A 12 -7.133 -1.954 16.753 1.00 13.30 H new ATOM 0 HZ1 LYS A 12 -6.380 -0.784 14.460 1.00 22.43 H new ATOM 0 HZ2 LYS A 12 -5.427 -0.823 15.865 1.00 22.43 H new ATOM 0 HZ3 LYS A 12 -5.159 -1.953 14.626 1.00 22.43 H new ATOM 226 N LYS A 13 -11.210 -6.683 15.377 1.00 11.23 N ATOM 227 CA LYS A 13 -12.598 -6.930 14.965 1.00 71.54 C ATOM 228 C LYS A 13 -12.827 -8.405 15.261 1.00 62.41 C ATOM 229 O LYS A 13 -12.115 -8.937 16.098 1.00 22.21 O ATOM 230 CB LYS A 13 -12.769 -6.610 13.462 1.00 24.24 C ATOM 231 CG LYS A 13 -12.465 -5.148 13.120 1.00 24.13 C ATOM 232 CD LYS A 13 -13.374 -4.215 13.907 1.00 4.22 C ATOM 233 CE LYS A 13 -12.994 -2.746 13.763 1.00 44.25 C ATOM 234 NZ LYS A 13 -13.143 -2.227 12.386 1.00 54.41 N ATOM 0 H LYS A 13 -10.516 -7.111 14.764 1.00 11.23 H new ATOM 0 HA LYS A 13 -13.319 -6.303 15.489 1.00 71.54 H new ATOM 0 HB2 LYS A 13 -12.111 -7.257 12.882 1.00 24.24 H new ATOM 0 HB3 LYS A 13 -13.791 -6.842 13.161 1.00 24.24 H new ATOM 0 HG2 LYS A 13 -11.422 -4.925 13.346 1.00 24.13 H new ATOM 0 HG3 LYS A 13 -12.602 -4.983 12.051 1.00 24.13 H new ATOM 0 HD2 LYS A 13 -14.402 -4.352 13.573 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -13.342 -4.490 14.961 1.00 4.22 H new ATOM 0 HE2 LYS A 13 -13.613 -2.152 14.435 1.00 44.25 H new ATOM 0 HE3 LYS A 13 -11.960 -2.614 14.082 1.00 44.25 H new ATOM 0 HZ1 LYS A 13 -13.220 -1.190 12.412 1.00 54.41 H new ATOM 0 HZ2 LYS A 13 -12.313 -2.498 11.821 1.00 54.41 H new ATOM 0 HZ3 LYS A 13 -14.001 -2.627 11.955 1.00 54.41 H new ATOM 248 N LYS A 14 -13.813 -9.081 14.720 1.00 71.43 N ATOM 249 CA LYS A 14 -13.816 -10.523 14.875 1.00 32.42 C ATOM 250 C LYS A 14 -14.318 -11.212 13.621 1.00 13.24 C ATOM 251 O LYS A 14 -15.502 -11.571 13.487 1.00 5.54 O ATOM 252 CB LYS A 14 -14.549 -10.986 16.153 1.00 73.24 C ATOM 253 CG LYS A 14 -15.907 -10.351 16.385 1.00 40.21 C ATOM 254 CD LYS A 14 -16.508 -10.834 17.688 1.00 43.22 C ATOM 255 CE LYS A 14 -17.767 -10.071 18.050 1.00 70.42 C ATOM 256 NZ LYS A 14 -17.510 -8.617 18.200 1.00 23.43 N ATOM 0 H LYS A 14 -14.590 -8.684 14.192 1.00 71.43 H new ATOM 0 HA LYS A 14 -12.780 -10.833 15.012 1.00 32.42 H new ATOM 0 HB2 LYS A 14 -14.674 -12.068 16.109 1.00 73.24 H new ATOM 0 HB3 LYS A 14 -13.915 -10.774 17.014 1.00 73.24 H new ATOM 0 HG2 LYS A 14 -15.808 -9.266 16.405 1.00 40.21 H new ATOM 0 HG3 LYS A 14 -16.574 -10.595 15.558 1.00 40.21 H new ATOM 0 HD2 LYS A 14 -16.738 -11.897 17.609 1.00 43.22 H new ATOM 0 HD3 LYS A 14 -15.775 -10.725 18.488 1.00 43.22 H new ATOM 0 HE2 LYS A 14 -18.521 -10.229 17.279 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -18.175 -10.465 18.981 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -18.281 -8.183 18.746 1.00 23.43 H new ATOM 0 HZ2 LYS A 14 -16.609 -8.473 18.699 1.00 23.43 H new ATOM 0 HZ3 LYS A 14 -17.459 -8.175 17.260 1.00 23.43 H new ATOM 270 N ILE A 15 -13.437 -11.305 12.665 1.00 13.13 N ATOM 271 CA ILE A 15 -13.716 -11.940 11.404 1.00 43.54 C ATOM 272 C ILE A 15 -12.635 -12.988 11.147 1.00 51.30 C ATOM 273 O ILE A 15 -11.454 -12.735 11.402 1.00 65.41 O ATOM 274 CB ILE A 15 -13.726 -10.892 10.239 1.00 70.43 C ATOM 275 CG1 ILE A 15 -14.721 -9.751 10.542 1.00 24.32 C ATOM 276 CG2 ILE A 15 -14.088 -11.560 8.919 1.00 62.43 C ATOM 277 CD1 ILE A 15 -14.775 -8.662 9.485 1.00 1.24 C ATOM 0 H ILE A 15 -12.489 -10.936 12.739 1.00 13.13 H new ATOM 0 HA ILE A 15 -14.701 -12.406 11.443 1.00 43.54 H new ATOM 0 HB ILE A 15 -12.724 -10.471 10.155 1.00 70.43 H new ATOM 0 HG12 ILE A 15 -15.718 -10.177 10.657 1.00 24.32 H new ATOM 0 HG13 ILE A 15 -14.455 -9.299 11.497 1.00 24.32 H new ATOM 0 HG21 ILE A 15 -14.090 -10.816 8.123 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -13.356 -12.334 8.690 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -15.078 -12.009 8.998 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -15.500 -7.903 9.781 1.00 1.24 H new ATOM 0 HD12 ILE A 15 -13.791 -8.204 9.384 1.00 1.24 H new ATOM 0 HD13 ILE A 15 -15.073 -9.096 8.531 1.00 1.24 H new ATOM 289 N SER A 16 -13.032 -14.147 10.684 1.00 2.42 N ATOM 290 CA SER A 16 -12.115 -15.220 10.407 1.00 41.31 C ATOM 291 C SER A 16 -11.760 -15.287 8.903 1.00 13.21 C ATOM 292 O SER A 16 -12.297 -14.497 8.099 1.00 35.13 O ATOM 293 CB SER A 16 -12.662 -16.532 10.989 1.00 43.33 C ATOM 294 OG SER A 16 -14.084 -16.562 10.949 1.00 71.34 O ATOM 0 H SER A 16 -14.007 -14.372 10.488 1.00 2.42 H new ATOM 0 HA SER A 16 -11.164 -15.031 10.906 1.00 41.31 H new ATOM 0 HB2 SER A 16 -12.262 -17.376 10.427 1.00 43.33 H new ATOM 0 HB3 SER A 16 -12.323 -16.645 12.019 1.00 43.33 H new ATOM 0 HG SER A 16 -14.381 -16.828 10.053 1.00 71.34 H new ATOM 300 N GLN A 17 -10.879 -16.219 8.518 1.00 45.12 N ATOM 301 CA GLN A 17 -10.341 -16.254 7.151 1.00 65.34 C ATOM 302 C GLN A 17 -11.401 -16.508 6.079 1.00 13.44 C ATOM 303 O GLN A 17 -11.343 -15.911 5.015 1.00 12.11 O ATOM 304 CB GLN A 17 -9.174 -17.246 6.999 1.00 30.22 C ATOM 305 CG GLN A 17 -9.530 -18.700 7.258 1.00 4.43 C ATOM 306 CD GLN A 17 -8.379 -19.633 6.989 1.00 53.31 C ATOM 307 OE1 GLN A 17 -8.215 -20.116 5.877 1.00 72.33 O ATOM 308 NE2 GLN A 17 -7.590 -19.911 7.994 1.00 45.23 N ATOM 0 H GLN A 17 -10.525 -16.955 9.129 1.00 45.12 H new ATOM 0 HA GLN A 17 -9.956 -15.248 6.984 1.00 65.34 H new ATOM 0 HB2 GLN A 17 -8.773 -17.160 5.989 1.00 30.22 H new ATOM 0 HB3 GLN A 17 -8.378 -16.955 7.684 1.00 30.22 H new ATOM 0 HG2 GLN A 17 -9.851 -18.813 8.294 1.00 4.43 H new ATOM 0 HG3 GLN A 17 -10.375 -18.981 6.630 1.00 4.43 H new ATOM 0 HE21 GLN A 17 -7.759 -19.488 8.907 1.00 45.23 H new ATOM 0 HE22 GLN A 17 -6.806 -20.550 7.865 1.00 45.23 H new ATOM 317 N SER A 18 -12.372 -17.363 6.363 1.00 55.44 N ATOM 318 CA SER A 18 -13.402 -17.698 5.396 1.00 52.11 C ATOM 319 C SER A 18 -14.257 -16.475 5.054 1.00 62.21 C ATOM 320 O SER A 18 -14.515 -16.180 3.876 1.00 10.02 O ATOM 321 CB SER A 18 -14.265 -18.808 5.973 1.00 45.03 C ATOM 322 OG SER A 18 -13.454 -19.908 6.386 1.00 21.34 O ATOM 0 H SER A 18 -12.467 -17.839 7.260 1.00 55.44 H new ATOM 0 HA SER A 18 -12.933 -18.035 4.471 1.00 52.11 H new ATOM 0 HB2 SER A 18 -14.835 -18.430 6.822 1.00 45.03 H new ATOM 0 HB3 SER A 18 -14.987 -19.141 5.227 1.00 45.03 H new ATOM 0 HG SER A 18 -14.023 -20.607 6.771 1.00 21.34 H new ATOM 328 N GLU A 19 -14.643 -15.756 6.081 1.00 50.43 N ATOM 329 CA GLU A 19 -15.466 -14.577 5.961 1.00 3.23 C ATOM 330 C GLU A 19 -14.710 -13.496 5.219 1.00 41.23 C ATOM 331 O GLU A 19 -15.282 -12.801 4.367 1.00 11.14 O ATOM 332 CB GLU A 19 -15.915 -14.075 7.348 1.00 33.34 C ATOM 333 CG GLU A 19 -16.855 -15.010 8.131 1.00 42.23 C ATOM 334 CD GLU A 19 -16.287 -16.395 8.376 1.00 44.10 C ATOM 335 OE1 GLU A 19 -15.068 -16.519 8.634 1.00 70.32 O ATOM 336 OE2 GLU A 19 -17.041 -17.392 8.260 1.00 64.25 O ATOM 0 H GLU A 19 -14.388 -15.979 7.043 1.00 50.43 H new ATOM 0 HA GLU A 19 -16.361 -14.833 5.395 1.00 3.23 H new ATOM 0 HB2 GLU A 19 -15.026 -13.896 7.953 1.00 33.34 H new ATOM 0 HB3 GLU A 19 -16.413 -13.114 7.221 1.00 33.34 H new ATOM 0 HG2 GLU A 19 -17.090 -14.550 9.091 1.00 42.23 H new ATOM 0 HG3 GLU A 19 -17.793 -15.105 7.585 1.00 42.23 H new ATOM 343 N LEU A 20 -13.416 -13.365 5.524 1.00 73.22 N ATOM 344 CA LEU A 20 -12.559 -12.427 4.822 1.00 10.22 C ATOM 345 C LEU A 20 -12.421 -12.802 3.368 1.00 65.33 C ATOM 346 O LEU A 20 -12.524 -11.950 2.510 1.00 30.50 O ATOM 347 CB LEU A 20 -11.169 -12.348 5.456 1.00 32.54 C ATOM 348 CG LEU A 20 -11.077 -11.666 6.812 1.00 41.02 C ATOM 349 CD1 LEU A 20 -9.661 -11.758 7.333 1.00 52.52 C ATOM 350 CD2 LEU A 20 -11.500 -10.208 6.697 1.00 23.21 C ATOM 0 H LEU A 20 -12.946 -13.900 6.254 1.00 73.22 H new ATOM 0 HA LEU A 20 -13.034 -11.449 4.899 1.00 10.22 H new ATOM 0 HB2 LEU A 20 -10.783 -13.362 5.558 1.00 32.54 H new ATOM 0 HB3 LEU A 20 -10.509 -11.823 4.765 1.00 32.54 H new ATOM 0 HG LEU A 20 -11.747 -12.168 7.509 1.00 41.02 H new ATOM 0 HD11 LEU A 20 -9.598 -11.268 8.305 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -9.378 -12.806 7.436 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -8.984 -11.266 6.635 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -11.430 -9.731 7.674 1.00 23.21 H new ATOM 0 HD22 LEU A 20 -10.845 -9.693 5.994 1.00 23.21 H new ATOM 0 HD23 LEU A 20 -12.529 -10.155 6.340 1.00 23.21 H new ATOM 362 N ALA A 21 -12.230 -14.084 3.100 1.00 4.44 N ATOM 363 CA ALA A 21 -12.060 -14.570 1.739 1.00 14.42 C ATOM 364 C ALA A 21 -13.262 -14.210 0.884 1.00 35.03 C ATOM 365 O ALA A 21 -13.112 -13.633 -0.188 1.00 72.55 O ATOM 366 CB ALA A 21 -11.832 -16.071 1.731 1.00 1.41 C ATOM 0 H ALA A 21 -12.189 -14.812 3.813 1.00 4.44 H new ATOM 0 HA ALA A 21 -11.181 -14.086 1.314 1.00 14.42 H new ATOM 0 HB1 ALA A 21 -11.707 -16.415 0.704 1.00 1.41 H new ATOM 0 HB2 ALA A 21 -10.935 -16.306 2.304 1.00 1.41 H new ATOM 0 HB3 ALA A 21 -12.690 -16.572 2.179 1.00 1.41 H new ATOM 372 N ALA A 22 -14.448 -14.496 1.381 1.00 4.14 N ATOM 373 CA ALA A 22 -15.673 -14.182 0.665 1.00 53.23 C ATOM 374 C ALA A 22 -15.848 -12.672 0.488 1.00 34.22 C ATOM 375 O ALA A 22 -16.247 -12.202 -0.585 1.00 30.41 O ATOM 376 CB ALA A 22 -16.867 -14.763 1.396 1.00 24.13 C ATOM 0 H ALA A 22 -14.592 -14.948 2.284 1.00 4.14 H new ATOM 0 HA ALA A 22 -15.605 -14.629 -0.327 1.00 53.23 H new ATOM 0 HB1 ALA A 22 -17.780 -14.522 0.851 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -16.760 -15.846 1.464 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -16.921 -14.340 2.399 1.00 24.13 H new ATOM 382 N LEU A 23 -15.514 -11.927 1.526 1.00 71.12 N ATOM 383 CA LEU A 23 -15.679 -10.481 1.542 1.00 42.20 C ATOM 384 C LEU A 23 -14.681 -9.789 0.607 1.00 63.22 C ATOM 385 O LEU A 23 -15.031 -8.842 -0.092 1.00 30.24 O ATOM 386 CB LEU A 23 -15.534 -9.966 2.980 1.00 60.54 C ATOM 387 CG LEU A 23 -15.825 -8.487 3.229 1.00 63.34 C ATOM 388 CD1 LEU A 23 -17.254 -8.144 2.825 1.00 60.14 C ATOM 389 CD2 LEU A 23 -15.604 -8.166 4.697 1.00 50.33 C ATOM 0 H LEU A 23 -15.119 -12.307 2.386 1.00 71.12 H new ATOM 0 HA LEU A 23 -16.677 -10.241 1.175 1.00 42.20 H new ATOM 0 HB2 LEU A 23 -16.198 -10.552 3.616 1.00 60.54 H new ATOM 0 HB3 LEU A 23 -14.515 -10.169 3.310 1.00 60.54 H new ATOM 0 HG LEU A 23 -15.147 -7.888 2.622 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -17.441 -7.086 3.010 1.00 60.14 H new ATOM 0 HD12 LEU A 23 -17.393 -8.357 1.765 1.00 60.14 H new ATOM 0 HD13 LEU A 23 -17.951 -8.743 3.410 1.00 60.14 H new ATOM 0 HD21 LEU A 23 -15.812 -7.111 4.874 1.00 50.33 H new ATOM 0 HD22 LEU A 23 -16.272 -8.775 5.307 1.00 50.33 H new ATOM 0 HD23 LEU A 23 -14.570 -8.382 4.965 1.00 50.33 H new ATOM 401 N LEU A 24 -13.460 -10.287 0.574 1.00 61.11 N ATOM 402 CA LEU A 24 -12.409 -9.719 -0.270 1.00 33.50 C ATOM 403 C LEU A 24 -12.482 -10.285 -1.683 1.00 13.04 C ATOM 404 O LEU A 24 -11.712 -9.873 -2.562 1.00 54.12 O ATOM 405 CB LEU A 24 -11.030 -10.029 0.324 1.00 1.13 C ATOM 406 CG LEU A 24 -10.788 -9.575 1.765 1.00 1.25 C ATOM 407 CD1 LEU A 24 -9.421 -10.021 2.232 1.00 24.05 C ATOM 408 CD2 LEU A 24 -10.929 -8.072 1.897 1.00 43.42 C ATOM 0 H LEU A 24 -13.163 -11.092 1.125 1.00 61.11 H new ATOM 0 HA LEU A 24 -12.558 -8.640 -0.312 1.00 33.50 H new ATOM 0 HB2 LEU A 24 -10.872 -11.106 0.275 1.00 1.13 H new ATOM 0 HB3 LEU A 24 -10.274 -9.567 -0.311 1.00 1.13 H new ATOM 0 HG LEU A 24 -11.545 -10.039 2.398 1.00 1.25 H new ATOM 0 HD11 LEU A 24 -9.262 -9.691 3.259 1.00 24.05 H new ATOM 0 HD12 LEU A 24 -9.358 -11.108 2.186 1.00 24.05 H new ATOM 0 HD13 LEU A 24 -8.657 -9.585 1.588 1.00 24.05 H new ATOM 0 HD21 LEU A 24 -10.751 -7.779 2.932 1.00 43.42 H new ATOM 0 HD22 LEU A 24 -10.202 -7.580 1.251 1.00 43.42 H new ATOM 0 HD23 LEU A 24 -11.935 -7.774 1.603 1.00 43.42 H new ATOM 420 N GLU A 25 -13.412 -11.237 -1.878 1.00 45.33 N ATOM 421 CA GLU A 25 -13.651 -11.901 -3.163 1.00 22.43 C ATOM 422 C GLU A 25 -12.432 -12.708 -3.597 1.00 63.31 C ATOM 423 O GLU A 25 -12.111 -12.808 -4.786 1.00 72.53 O ATOM 424 CB GLU A 25 -14.067 -10.875 -4.215 1.00 34.10 C ATOM 425 CG GLU A 25 -15.358 -10.165 -3.859 1.00 74.02 C ATOM 426 CD GLU A 25 -15.625 -8.996 -4.740 1.00 63.23 C ATOM 427 OE1 GLU A 25 -15.072 -7.908 -4.465 1.00 54.24 O ATOM 428 OE2 GLU A 25 -16.386 -9.124 -5.718 1.00 73.13 O ATOM 0 H GLU A 25 -14.025 -11.568 -1.133 1.00 45.33 H new ATOM 0 HA GLU A 25 -14.472 -12.609 -3.048 1.00 22.43 H new ATOM 0 HB2 GLU A 25 -13.272 -10.138 -4.333 1.00 34.10 H new ATOM 0 HB3 GLU A 25 -14.184 -11.374 -5.177 1.00 34.10 H new ATOM 0 HG2 GLU A 25 -16.188 -10.868 -3.932 1.00 74.02 H new ATOM 0 HG3 GLU A 25 -15.312 -9.832 -2.822 1.00 74.02 H new ATOM 435 N VAL A 26 -11.798 -13.331 -2.628 1.00 33.53 N ATOM 436 CA VAL A 26 -10.632 -14.143 -2.850 1.00 2.41 C ATOM 437 C VAL A 26 -10.884 -15.535 -2.281 1.00 32.32 C ATOM 438 O VAL A 26 -11.892 -15.767 -1.612 1.00 23.34 O ATOM 439 CB VAL A 26 -9.343 -13.537 -2.195 1.00 63.23 C ATOM 440 CG1 VAL A 26 -8.993 -12.190 -2.808 1.00 12.32 C ATOM 441 CG2 VAL A 26 -9.493 -13.405 -0.678 1.00 4.10 C ATOM 0 H VAL A 26 -12.086 -13.284 -1.651 1.00 33.53 H new ATOM 0 HA VAL A 26 -10.457 -14.186 -3.925 1.00 2.41 H new ATOM 0 HB VAL A 26 -8.526 -14.230 -2.397 1.00 63.23 H new ATOM 0 HG11 VAL A 26 -8.095 -11.796 -2.332 1.00 12.32 H new ATOM 0 HG12 VAL A 26 -8.814 -12.312 -3.876 1.00 12.32 H new ATOM 0 HG13 VAL A 26 -9.819 -11.495 -2.655 1.00 12.32 H new ATOM 0 HG21 VAL A 26 -8.581 -12.982 -0.258 1.00 4.10 H new ATOM 0 HG22 VAL A 26 -10.335 -12.751 -0.451 1.00 4.10 H new ATOM 0 HG23 VAL A 26 -9.670 -14.389 -0.243 1.00 4.10 H new ATOM 451 N SER A 27 -10.018 -16.449 -2.566 1.00 35.42 N ATOM 452 CA SER A 27 -10.126 -17.772 -2.030 1.00 0.14 C ATOM 453 C SER A 27 -9.373 -17.828 -0.690 1.00 54.44 C ATOM 454 O SER A 27 -8.549 -16.938 -0.400 1.00 24.14 O ATOM 455 CB SER A 27 -9.563 -18.755 -3.047 1.00 23.34 C ATOM 456 OG SER A 27 -10.208 -18.567 -4.310 1.00 1.11 O ATOM 0 H SER A 27 -9.214 -16.304 -3.177 1.00 35.42 H new ATOM 0 HA SER A 27 -11.165 -18.041 -1.840 1.00 0.14 H new ATOM 0 HB2 SER A 27 -8.488 -18.608 -3.152 1.00 23.34 H new ATOM 0 HB3 SER A 27 -9.713 -19.777 -2.700 1.00 23.34 H new ATOM 0 HG SER A 27 -9.842 -19.200 -4.962 1.00 1.11 H new ATOM 462 N ARG A 28 -9.669 -18.820 0.139 1.00 33.45 N ATOM 463 CA ARG A 28 -9.020 -18.939 1.437 1.00 2.32 C ATOM 464 C ARG A 28 -7.528 -19.127 1.327 1.00 72.10 C ATOM 465 O ARG A 28 -6.783 -18.589 2.123 1.00 61.25 O ATOM 466 CB ARG A 28 -9.650 -19.991 2.346 1.00 73.14 C ATOM 467 CG ARG A 28 -11.035 -19.618 2.823 1.00 54.32 C ATOM 468 CD ARG A 28 -11.540 -20.558 3.904 1.00 53.33 C ATOM 469 NE ARG A 28 -11.740 -21.935 3.445 1.00 21.14 N ATOM 470 CZ ARG A 28 -12.737 -22.733 3.865 1.00 13.43 C ATOM 471 NH1 ARG A 28 -13.631 -22.279 4.754 1.00 20.31 N ATOM 472 NH2 ARG A 28 -12.810 -23.986 3.436 1.00 44.34 N ATOM 0 H ARG A 28 -10.351 -19.551 -0.063 1.00 33.45 H new ATOM 0 HA ARG A 28 -9.192 -17.978 1.921 1.00 2.32 H new ATOM 0 HB2 ARG A 28 -9.701 -20.940 1.811 1.00 73.14 H new ATOM 0 HB3 ARG A 28 -9.005 -20.147 3.211 1.00 73.14 H new ATOM 0 HG2 ARG A 28 -11.023 -18.598 3.207 1.00 54.32 H new ATOM 0 HG3 ARG A 28 -11.725 -19.633 1.979 1.00 54.32 H new ATOM 0 HD2 ARG A 28 -10.830 -20.560 4.731 1.00 53.33 H new ATOM 0 HD3 ARG A 28 -12.483 -20.175 4.294 1.00 53.33 H new ATOM 0 HE ARG A 28 -11.081 -22.312 2.764 1.00 21.14 H new ATOM 0 HH11 ARG A 28 -13.555 -21.327 5.113 1.00 20.31 H new ATOM 0 HH12 ARG A 28 -14.387 -22.885 5.072 1.00 20.31 H new ATOM 0 HH21 ARG A 28 -12.109 -24.345 2.787 1.00 44.34 H new ATOM 0 HH22 ARG A 28 -13.567 -24.591 3.755 1.00 44.34 H new ATOM 486 N GLN A 29 -7.092 -19.858 0.325 1.00 63.51 N ATOM 487 CA GLN A 29 -5.671 -20.074 0.101 1.00 73.10 C ATOM 488 C GLN A 29 -5.008 -18.728 -0.272 1.00 21.43 C ATOM 489 O GLN A 29 -3.855 -18.457 0.098 1.00 63.01 O ATOM 490 CB GLN A 29 -5.514 -21.140 -1.005 1.00 14.11 C ATOM 491 CG GLN A 29 -4.139 -21.800 -1.161 1.00 34.33 C ATOM 492 CD GLN A 29 -3.065 -20.931 -1.775 1.00 13.43 C ATOM 493 OE1 GLN A 29 -3.344 -20.043 -2.581 1.00 35.21 O ATOM 494 NE2 GLN A 29 -1.837 -21.202 -1.429 1.00 24.53 N ATOM 0 H GLN A 29 -7.701 -20.317 -0.353 1.00 63.51 H new ATOM 0 HA GLN A 29 -5.173 -20.441 0.998 1.00 73.10 H new ATOM 0 HB2 GLN A 29 -6.246 -21.927 -0.821 1.00 14.11 H new ATOM 0 HB3 GLN A 29 -5.776 -20.678 -1.957 1.00 14.11 H new ATOM 0 HG2 GLN A 29 -3.799 -22.127 -0.178 1.00 34.33 H new ATOM 0 HG3 GLN A 29 -4.252 -22.694 -1.774 1.00 34.33 H new ATOM 0 HE21 GLN A 29 -1.649 -21.946 -0.757 1.00 24.53 H new ATOM 0 HE22 GLN A 29 -1.065 -20.670 -1.830 1.00 24.53 H new ATOM 503 N THR A 30 -5.769 -17.875 -0.949 1.00 21.22 N ATOM 504 CA THR A 30 -5.300 -16.572 -1.349 1.00 0.23 C ATOM 505 C THR A 30 -5.086 -15.692 -0.101 1.00 24.14 C ATOM 506 O THR A 30 -4.000 -15.132 0.095 1.00 5.35 O ATOM 507 CB THR A 30 -6.343 -15.903 -2.268 1.00 71.41 C ATOM 508 OG1 THR A 30 -6.811 -16.865 -3.230 1.00 40.00 O ATOM 509 CG2 THR A 30 -5.738 -14.710 -3.002 1.00 50.43 C ATOM 0 H THR A 30 -6.728 -18.077 -1.232 1.00 21.22 H new ATOM 0 HA THR A 30 -4.358 -16.682 -1.886 1.00 0.23 H new ATOM 0 HB THR A 30 -7.171 -15.548 -1.654 1.00 71.41 H new ATOM 0 HG1 THR A 30 -7.350 -16.411 -3.911 1.00 40.00 H new ATOM 0 HG21 THR A 30 -6.494 -14.256 -3.643 1.00 50.43 H new ATOM 0 HG22 THR A 30 -5.389 -13.975 -2.276 1.00 50.43 H new ATOM 0 HG23 THR A 30 -4.899 -15.045 -3.611 1.00 50.43 H new ATOM 517 N ILE A 31 -6.112 -15.608 0.763 1.00 3.24 N ATOM 518 CA ILE A 31 -6.003 -14.814 1.988 1.00 15.23 C ATOM 519 C ILE A 31 -4.978 -15.426 2.955 1.00 54.43 C ATOM 520 O ILE A 31 -4.222 -14.697 3.596 1.00 12.25 O ATOM 521 CB ILE A 31 -7.395 -14.545 2.691 1.00 61.33 C ATOM 522 CG1 ILE A 31 -7.246 -13.646 3.933 1.00 13.20 C ATOM 523 CG2 ILE A 31 -8.113 -15.829 3.058 1.00 12.10 C ATOM 524 CD1 ILE A 31 -6.703 -12.262 3.637 1.00 15.23 C ATOM 0 H ILE A 31 -7.010 -16.074 0.635 1.00 3.24 H new ATOM 0 HA ILE A 31 -5.638 -13.832 1.686 1.00 15.23 H new ATOM 0 HB ILE A 31 -8.006 -14.019 1.957 1.00 61.33 H new ATOM 0 HG12 ILE A 31 -8.219 -13.547 4.415 1.00 13.20 H new ATOM 0 HG13 ILE A 31 -6.585 -14.138 4.647 1.00 13.20 H new ATOM 0 HG21 ILE A 31 -9.062 -15.591 3.537 1.00 12.10 H new ATOM 0 HG22 ILE A 31 -8.298 -16.413 2.156 1.00 12.10 H new ATOM 0 HG23 ILE A 31 -7.495 -16.408 3.745 1.00 12.10 H new ATOM 0 HD11 ILE A 31 -6.629 -11.694 4.564 1.00 15.23 H new ATOM 0 HD12 ILE A 31 -5.715 -12.348 3.184 1.00 15.23 H new ATOM 0 HD13 ILE A 31 -7.374 -11.747 2.949 1.00 15.23 H new ATOM 536 N ASN A 32 -4.911 -16.757 2.996 1.00 30.33 N ATOM 537 CA ASN A 32 -3.929 -17.467 3.825 1.00 60.42 C ATOM 538 C ASN A 32 -2.521 -17.071 3.408 1.00 3.24 C ATOM 539 O ASN A 32 -1.636 -16.850 4.241 1.00 13.11 O ATOM 540 CB ASN A 32 -4.091 -18.990 3.682 1.00 64.50 C ATOM 541 CG ASN A 32 -3.053 -19.777 4.466 1.00 24.43 C ATOM 542 OD1 ASN A 32 -1.966 -20.119 3.946 1.00 33.15 O ATOM 543 ND2 ASN A 32 -3.368 -20.084 5.690 1.00 74.02 N ATOM 0 H ASN A 32 -5.527 -17.370 2.463 1.00 30.33 H new ATOM 0 HA ASN A 32 -4.098 -17.192 4.866 1.00 60.42 H new ATOM 0 HB2 ASN A 32 -5.087 -19.277 4.020 1.00 64.50 H new ATOM 0 HB3 ASN A 32 -4.022 -19.259 2.628 1.00 64.50 H new ATOM 0 HD21 ASN A 32 -2.719 -20.623 6.264 1.00 74.02 H new ATOM 0 HD22 ASN A 32 -4.264 -19.786 6.076 1.00 74.02 H new ATOM 550 N GLY A 33 -2.329 -16.963 2.102 1.00 32.15 N ATOM 551 CA GLY A 33 -1.069 -16.549 1.557 1.00 62.40 C ATOM 552 C GLY A 33 -0.691 -15.149 1.990 1.00 51.22 C ATOM 553 O GLY A 33 0.494 -14.853 2.191 1.00 73.51 O ATOM 0 H GLY A 33 -3.045 -17.161 1.403 1.00 32.15 H new ATOM 0 HA2 GLY A 33 -0.293 -17.247 1.871 1.00 62.40 H new ATOM 0 HA3 GLY A 33 -1.114 -16.591 0.469 1.00 62.40 H new ATOM 557 N ILE A 34 -1.676 -14.286 2.114 1.00 55.13 N ATOM 558 CA ILE A 34 -1.461 -12.938 2.598 1.00 14.23 C ATOM 559 C ILE A 34 -1.112 -12.964 4.095 1.00 12.31 C ATOM 560 O ILE A 34 -0.159 -12.311 4.520 1.00 62.21 O ATOM 561 CB ILE A 34 -2.718 -12.039 2.358 1.00 13.40 C ATOM 562 CG1 ILE A 34 -3.076 -11.973 0.856 1.00 21.05 C ATOM 563 CG2 ILE A 34 -2.518 -10.636 2.925 1.00 62.42 C ATOM 564 CD1 ILE A 34 -1.984 -11.393 -0.033 1.00 51.13 C ATOM 0 H ILE A 34 -2.647 -14.498 1.883 1.00 55.13 H new ATOM 0 HA ILE A 34 -0.628 -12.510 2.040 1.00 14.23 H new ATOM 0 HB ILE A 34 -3.552 -12.498 2.888 1.00 13.40 H new ATOM 0 HG12 ILE A 34 -3.313 -12.979 0.508 1.00 21.05 H new ATOM 0 HG13 ILE A 34 -3.979 -11.374 0.737 1.00 21.05 H new ATOM 0 HG21 ILE A 34 -3.411 -10.038 2.741 1.00 62.42 H new ATOM 0 HG22 ILE A 34 -2.339 -10.699 3.998 1.00 62.42 H new ATOM 0 HG23 ILE A 34 -1.661 -10.167 2.442 1.00 62.42 H new ATOM 0 HD11 ILE A 34 -2.324 -11.386 -1.069 1.00 51.13 H new ATOM 0 HD12 ILE A 34 -1.761 -10.374 0.283 1.00 51.13 H new ATOM 0 HD13 ILE A 34 -1.085 -12.004 0.050 1.00 51.13 H new ATOM 576 N GLU A 35 -1.861 -13.758 4.868 1.00 42.35 N ATOM 577 CA GLU A 35 -1.650 -13.888 6.325 1.00 14.13 C ATOM 578 C GLU A 35 -0.255 -14.373 6.663 1.00 62.12 C ATOM 579 O GLU A 35 0.364 -13.910 7.623 1.00 33.44 O ATOM 580 CB GLU A 35 -2.601 -14.913 6.905 1.00 72.22 C ATOM 581 CG GLU A 35 -4.063 -14.604 6.774 1.00 22.14 C ATOM 582 CD GLU A 35 -4.889 -15.639 7.475 1.00 2.35 C ATOM 583 OE1 GLU A 35 -4.474 -16.100 8.567 1.00 12.42 O ATOM 584 OE2 GLU A 35 -5.996 -15.953 7.018 1.00 14.03 O ATOM 0 H GLU A 35 -2.627 -14.328 4.510 1.00 42.35 H new ATOM 0 HA GLU A 35 -1.814 -12.894 6.740 1.00 14.13 H new ATOM 0 HB2 GLU A 35 -2.408 -15.871 6.423 1.00 72.22 H new ATOM 0 HB3 GLU A 35 -2.370 -15.036 7.963 1.00 72.22 H new ATOM 0 HG2 GLU A 35 -4.271 -13.620 7.195 1.00 22.14 H new ATOM 0 HG3 GLU A 35 -4.338 -14.565 5.720 1.00 22.14 H new ATOM 591 N LYS A 36 0.255 -15.255 5.854 1.00 72.42 N ATOM 592 CA LYS A 36 1.562 -15.824 6.096 1.00 3.42 C ATOM 593 C LYS A 36 2.631 -15.018 5.387 1.00 64.33 C ATOM 594 O LYS A 36 3.789 -15.427 5.343 1.00 74.05 O ATOM 595 CB LYS A 36 1.596 -17.290 5.620 1.00 71.34 C ATOM 596 CG LYS A 36 0.564 -18.199 6.299 1.00 73.40 C ATOM 597 CD LYS A 36 0.756 -18.237 7.808 1.00 3.32 C ATOM 598 CE LYS A 36 2.075 -18.884 8.200 1.00 11.20 C ATOM 599 NZ LYS A 36 2.346 -18.722 9.635 1.00 30.21 N ATOM 0 H LYS A 36 -0.211 -15.601 5.016 1.00 72.42 H new ATOM 0 HA LYS A 36 1.762 -15.795 7.167 1.00 3.42 H new ATOM 0 HB2 LYS A 36 1.431 -17.314 4.543 1.00 71.34 H new ATOM 0 HB3 LYS A 36 2.592 -17.695 5.799 1.00 71.34 H new ATOM 0 HG2 LYS A 36 -0.441 -17.845 6.069 1.00 73.40 H new ATOM 0 HG3 LYS A 36 0.647 -19.208 5.896 1.00 73.40 H new ATOM 0 HD2 LYS A 36 0.719 -17.222 8.204 1.00 3.32 H new ATOM 0 HD3 LYS A 36 -0.067 -18.787 8.264 1.00 3.32 H new ATOM 0 HE2 LYS A 36 2.050 -19.945 7.950 1.00 11.20 H new ATOM 0 HE3 LYS A 36 2.886 -18.440 7.623 1.00 11.20 H new ATOM 0 HZ1 LYS A 36 3.253 -19.174 9.870 1.00 30.21 H new ATOM 0 HZ2 LYS A 36 2.394 -17.709 9.867 1.00 30.21 H new ATOM 0 HZ3 LYS A 36 1.584 -19.168 10.185 1.00 30.21 H new ATOM 613 N ASN A 37 2.214 -13.863 4.812 1.00 21.34 N ATOM 614 CA ASN A 37 3.061 -12.940 4.006 1.00 41.10 C ATOM 615 C ASN A 37 3.852 -13.695 2.948 1.00 30.41 C ATOM 616 O ASN A 37 4.871 -13.237 2.458 1.00 2.25 O ATOM 617 CB ASN A 37 3.966 -11.990 4.863 1.00 42.23 C ATOM 618 CG ASN A 37 5.046 -12.663 5.713 1.00 63.02 C ATOM 619 OD1 ASN A 37 4.826 -12.983 6.888 1.00 64.43 O ATOM 620 ND2 ASN A 37 6.200 -12.886 5.137 1.00 15.22 N ATOM 0 H ASN A 37 1.252 -13.536 4.897 1.00 21.34 H new ATOM 0 HA ASN A 37 2.369 -12.273 3.492 1.00 41.10 H new ATOM 0 HB2 ASN A 37 4.452 -11.283 4.191 1.00 42.23 H new ATOM 0 HB3 ASN A 37 3.322 -11.410 5.525 1.00 42.23 H new ATOM 0 HD21 ASN A 37 6.952 -13.337 5.659 1.00 15.22 H new ATOM 0 HD22 ASN A 37 6.347 -12.609 4.166 1.00 15.22 H new ATOM 627 N LYS A 38 3.240 -14.757 2.485 1.00 23.05 N ATOM 628 CA LYS A 38 3.835 -15.724 1.593 1.00 71.21 C ATOM 629 C LYS A 38 3.597 -15.290 0.150 1.00 63.12 C ATOM 630 O LYS A 38 4.372 -15.595 -0.757 1.00 54.40 O ATOM 631 CB LYS A 38 3.177 -17.079 1.912 1.00 54.41 C ATOM 632 CG LYS A 38 3.532 -18.254 1.019 1.00 51.33 C ATOM 633 CD LYS A 38 2.910 -19.549 1.564 1.00 14.11 C ATOM 634 CE LYS A 38 1.390 -19.437 1.746 1.00 53.22 C ATOM 635 NZ LYS A 38 0.814 -20.645 2.380 1.00 30.43 N ATOM 0 H LYS A 38 2.275 -14.981 2.728 1.00 23.05 H new ATOM 0 HA LYS A 38 4.914 -15.804 1.724 1.00 71.21 H new ATOM 0 HB2 LYS A 38 3.434 -17.345 2.937 1.00 54.41 H new ATOM 0 HB3 LYS A 38 2.096 -16.945 1.879 1.00 54.41 H new ATOM 0 HG2 LYS A 38 3.175 -18.070 0.006 1.00 51.33 H new ATOM 0 HG3 LYS A 38 4.615 -18.360 0.960 1.00 51.33 H new ATOM 0 HD2 LYS A 38 3.132 -20.370 0.883 1.00 14.11 H new ATOM 0 HD3 LYS A 38 3.371 -19.795 2.521 1.00 14.11 H new ATOM 0 HE2 LYS A 38 1.162 -18.564 2.357 1.00 53.22 H new ATOM 0 HE3 LYS A 38 0.920 -19.278 0.775 1.00 53.22 H new ATOM 0 HZ1 LYS A 38 -0.073 -20.395 2.862 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 0.622 -21.362 1.651 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 1.488 -21.028 3.073 1.00 30.43 H new ATOM 649 N TYR A 39 2.532 -14.548 -0.038 1.00 74.05 N ATOM 650 CA TYR A 39 2.181 -14.001 -1.336 1.00 12.53 C ATOM 651 C TYR A 39 2.864 -12.670 -1.571 1.00 13.41 C ATOM 652 O TYR A 39 2.996 -12.246 -2.708 1.00 2.12 O ATOM 653 CB TYR A 39 0.661 -13.800 -1.444 1.00 73.50 C ATOM 654 CG TYR A 39 -0.104 -14.946 -2.070 1.00 32.23 C ATOM 655 CD1 TYR A 39 0.011 -16.246 -1.605 1.00 62.14 C ATOM 656 CD2 TYR A 39 -0.956 -14.707 -3.138 1.00 33.20 C ATOM 657 CE1 TYR A 39 -0.698 -17.277 -2.193 1.00 3.04 C ATOM 658 CE2 TYR A 39 -1.667 -15.727 -3.728 1.00 1.32 C ATOM 659 CZ TYR A 39 -1.535 -17.009 -3.255 1.00 33.11 C ATOM 660 OH TYR A 39 -2.240 -18.033 -3.857 1.00 24.32 O ATOM 0 H TYR A 39 1.878 -14.303 0.706 1.00 74.05 H new ATOM 0 HA TYR A 39 2.515 -14.714 -2.090 1.00 12.53 H new ATOM 0 HB2 TYR A 39 0.263 -13.623 -0.445 1.00 73.50 H new ATOM 0 HB3 TYR A 39 0.472 -12.898 -2.026 1.00 73.50 H new ATOM 0 HD1 TYR A 39 0.664 -16.457 -0.771 1.00 62.14 H new ATOM 0 HD2 TYR A 39 -1.064 -13.700 -3.514 1.00 33.20 H new ATOM 0 HE1 TYR A 39 -0.597 -18.286 -1.822 1.00 3.04 H new ATOM 0 HE2 TYR A 39 -2.325 -15.520 -4.559 1.00 1.32 H new ATOM 0 HH TYR A 39 -2.293 -18.797 -3.246 1.00 24.32 H new ATOM 670 N ASN A 40 3.345 -12.059 -0.486 1.00 43.42 N ATOM 671 CA ASN A 40 3.846 -10.668 -0.486 1.00 41.25 C ATOM 672 C ASN A 40 2.715 -9.747 -0.949 1.00 40.41 C ATOM 673 O ASN A 40 2.533 -9.519 -2.151 1.00 21.44 O ATOM 674 CB ASN A 40 5.123 -10.466 -1.336 1.00 44.44 C ATOM 675 CG ASN A 40 5.660 -9.035 -1.251 1.00 2.30 C ATOM 676 OD1 ASN A 40 5.491 -8.347 -0.239 1.00 64.13 O ATOM 677 ND2 ASN A 40 6.304 -8.579 -2.290 1.00 53.45 N ATOM 0 H ASN A 40 3.401 -12.511 0.426 1.00 43.42 H new ATOM 0 HA ASN A 40 4.148 -10.419 0.531 1.00 41.25 H new ATOM 0 HB2 ASN A 40 5.893 -11.161 -1.001 1.00 44.44 H new ATOM 0 HB3 ASN A 40 4.906 -10.709 -2.376 1.00 44.44 H new ATOM 0 HD21 ASN A 40 6.683 -7.632 -2.280 1.00 53.45 H new ATOM 0 HD22 ASN A 40 6.429 -9.169 -3.112 1.00 53.45 H new ATOM 684 N PRO A 41 1.920 -9.249 0.010 1.00 2.41 N ATOM 685 CA PRO A 41 0.683 -8.499 -0.262 1.00 33.40 C ATOM 686 C PRO A 41 0.858 -7.286 -1.167 1.00 61.13 C ATOM 687 O PRO A 41 1.634 -6.368 -0.870 1.00 2.50 O ATOM 688 CB PRO A 41 0.211 -8.059 1.129 1.00 23.24 C ATOM 689 CG PRO A 41 0.856 -9.019 2.062 1.00 52.51 C ATOM 690 CD PRO A 41 2.183 -9.340 1.457 1.00 12.41 C ATOM 0 HA PRO A 41 -0.024 -9.125 -0.806 1.00 33.40 H new ATOM 0 HB2 PRO A 41 0.512 -7.034 1.344 1.00 23.24 H new ATOM 0 HB3 PRO A 41 -0.875 -8.096 1.210 1.00 23.24 H new ATOM 0 HG2 PRO A 41 0.973 -8.582 3.054 1.00 52.51 H new ATOM 0 HG3 PRO A 41 0.251 -9.918 2.179 1.00 52.51 H new ATOM 0 HD2 PRO A 41 2.951 -8.634 1.772 1.00 12.41 H new ATOM 0 HD3 PRO A 41 2.527 -10.334 1.743 1.00 12.41 H new ATOM 698 N SER A 42 0.164 -7.310 -2.281 1.00 32.11 N ATOM 699 CA SER A 42 0.118 -6.188 -3.180 1.00 31.54 C ATOM 700 C SER A 42 -0.815 -5.134 -2.578 1.00 35.33 C ATOM 701 O SER A 42 -1.627 -5.462 -1.688 1.00 31.14 O ATOM 702 CB SER A 42 -0.378 -6.658 -4.545 1.00 33.24 C ATOM 703 OG SER A 42 0.424 -7.747 -5.009 1.00 63.24 O ATOM 0 H SER A 42 -0.386 -8.113 -2.587 1.00 32.11 H new ATOM 0 HA SER A 42 1.107 -5.750 -3.316 1.00 31.54 H new ATOM 0 HB2 SER A 42 -1.421 -6.968 -4.475 1.00 33.24 H new ATOM 0 HB3 SER A 42 -0.337 -5.835 -5.259 1.00 33.24 H new ATOM 0 HG SER A 42 0.098 -8.044 -5.884 1.00 63.24 H new ATOM 709 N LEU A 43 -0.743 -3.909 -3.068 1.00 41.22 N ATOM 710 CA LEU A 43 -1.481 -2.809 -2.471 1.00 3.42 C ATOM 711 C LEU A 43 -2.991 -3.035 -2.518 1.00 71.35 C ATOM 712 O LEU A 43 -3.647 -2.859 -1.515 1.00 31.14 O ATOM 713 CB LEU A 43 -1.041 -1.440 -3.074 1.00 34.44 C ATOM 714 CG LEU A 43 -1.641 -0.133 -2.464 1.00 23.40 C ATOM 715 CD1 LEU A 43 -3.061 0.136 -2.956 1.00 22.03 C ATOM 716 CD2 LEU A 43 -1.606 -0.179 -0.925 1.00 44.53 C ATOM 0 H LEU A 43 -0.180 -3.650 -3.879 1.00 41.22 H new ATOM 0 HA LEU A 43 -1.227 -2.774 -1.412 1.00 3.42 H new ATOM 0 HB2 LEU A 43 0.044 -1.376 -2.995 1.00 34.44 H new ATOM 0 HB3 LEU A 43 -1.283 -1.452 -4.137 1.00 34.44 H new ATOM 0 HG LEU A 43 -1.016 0.692 -2.806 1.00 23.40 H new ATOM 0 HD11 LEU A 43 -3.435 1.055 -2.504 1.00 22.03 H new ATOM 0 HD12 LEU A 43 -3.056 0.241 -4.041 1.00 22.03 H new ATOM 0 HD13 LEU A 43 -3.707 -0.695 -2.675 1.00 22.03 H new ATOM 0 HD21 LEU A 43 -2.029 0.742 -0.524 1.00 44.53 H new ATOM 0 HD22 LEU A 43 -2.189 -1.030 -0.573 1.00 44.53 H new ATOM 0 HD23 LEU A 43 -0.575 -0.282 -0.587 1.00 44.53 H new ATOM 728 N GLN A 44 -3.528 -3.449 -3.664 1.00 2.30 N ATOM 729 CA GLN A 44 -4.977 -3.694 -3.797 1.00 25.44 C ATOM 730 C GLN A 44 -5.465 -4.704 -2.751 1.00 14.52 C ATOM 731 O GLN A 44 -6.479 -4.485 -2.082 1.00 12.34 O ATOM 732 CB GLN A 44 -5.299 -4.222 -5.199 1.00 43.20 C ATOM 733 CG GLN A 44 -6.785 -4.442 -5.451 1.00 23.12 C ATOM 734 CD GLN A 44 -7.055 -5.130 -6.766 1.00 1.11 C ATOM 735 OE1 GLN A 44 -7.114 -6.362 -6.833 1.00 21.35 O ATOM 736 NE2 GLN A 44 -7.221 -4.367 -7.813 1.00 45.30 N ATOM 0 H GLN A 44 -2.992 -3.623 -4.514 1.00 2.30 H new ATOM 0 HA GLN A 44 -5.491 -2.746 -3.635 1.00 25.44 H new ATOM 0 HB2 GLN A 44 -4.916 -3.518 -5.938 1.00 43.20 H new ATOM 0 HB3 GLN A 44 -4.772 -5.164 -5.352 1.00 43.20 H new ATOM 0 HG2 GLN A 44 -7.203 -5.039 -4.640 1.00 23.12 H new ATOM 0 HG3 GLN A 44 -7.298 -3.481 -5.436 1.00 23.12 H new ATOM 0 HE21 GLN A 44 -7.165 -3.353 -7.719 1.00 45.30 H new ATOM 0 HE22 GLN A 44 -7.406 -4.785 -8.725 1.00 45.30 H new ATOM 745 N LEU A 45 -4.722 -5.790 -2.608 1.00 33.52 N ATOM 746 CA LEU A 45 -5.050 -6.832 -1.643 1.00 33.42 C ATOM 747 C LEU A 45 -5.001 -6.286 -0.224 1.00 12.12 C ATOM 748 O LEU A 45 -5.919 -6.498 0.558 1.00 53.21 O ATOM 749 CB LEU A 45 -4.120 -8.068 -1.781 1.00 75.22 C ATOM 750 CG LEU A 45 -4.270 -8.949 -3.047 1.00 12.11 C ATOM 751 CD1 LEU A 45 -5.699 -9.439 -3.213 1.00 72.44 C ATOM 752 CD2 LEU A 45 -3.781 -8.244 -4.310 1.00 1.23 C ATOM 0 H LEU A 45 -3.880 -5.975 -3.153 1.00 33.52 H new ATOM 0 HA LEU A 45 -6.066 -7.162 -1.859 1.00 33.42 H new ATOM 0 HB2 LEU A 45 -3.089 -7.717 -1.738 1.00 75.22 H new ATOM 0 HB3 LEU A 45 -4.277 -8.704 -0.910 1.00 75.22 H new ATOM 0 HG LEU A 45 -3.628 -9.818 -2.900 1.00 12.11 H new ATOM 0 HD11 LEU A 45 -5.771 -10.054 -4.110 1.00 72.44 H new ATOM 0 HD12 LEU A 45 -5.984 -10.031 -2.343 1.00 72.44 H new ATOM 0 HD13 LEU A 45 -6.369 -8.584 -3.305 1.00 72.44 H new ATOM 0 HD21 LEU A 45 -3.908 -8.904 -5.168 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -4.359 -7.333 -4.465 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -2.726 -7.991 -4.200 1.00 1.23 H new ATOM 764 N ALA A 46 -3.955 -5.537 0.071 1.00 72.35 N ATOM 765 CA ALA A 46 -3.764 -4.952 1.387 1.00 41.10 C ATOM 766 C ALA A 46 -4.844 -3.914 1.692 1.00 44.34 C ATOM 767 O ALA A 46 -5.367 -3.852 2.805 1.00 24.52 O ATOM 768 CB ALA A 46 -2.379 -4.325 1.491 1.00 4.33 C ATOM 0 H ALA A 46 -3.214 -5.316 -0.594 1.00 72.35 H new ATOM 0 HA ALA A 46 -3.846 -5.749 2.126 1.00 41.10 H new ATOM 0 HB1 ALA A 46 -2.250 -3.891 2.482 1.00 4.33 H new ATOM 0 HB2 ALA A 46 -1.620 -5.090 1.328 1.00 4.33 H new ATOM 0 HB3 ALA A 46 -2.275 -3.545 0.737 1.00 4.33 H new ATOM 774 N LEU A 47 -5.196 -3.132 0.691 1.00 33.43 N ATOM 775 CA LEU A 47 -6.158 -2.067 0.840 1.00 23.45 C ATOM 776 C LEU A 47 -7.564 -2.601 1.062 1.00 50.21 C ATOM 777 O LEU A 47 -8.286 -2.074 1.894 1.00 21.23 O ATOM 778 CB LEU A 47 -6.072 -1.074 -0.358 1.00 32.41 C ATOM 779 CG LEU A 47 -6.985 0.184 -0.350 1.00 61.44 C ATOM 780 CD1 LEU A 47 -8.406 -0.125 -0.814 1.00 11.43 C ATOM 781 CD2 LEU A 47 -7.011 0.816 1.040 1.00 70.53 C ATOM 0 H LEU A 47 -4.819 -3.221 -0.252 1.00 33.43 H new ATOM 0 HA LEU A 47 -5.906 -1.506 1.740 1.00 23.45 H new ATOM 0 HB2 LEU A 47 -5.039 -0.733 -0.431 1.00 32.41 H new ATOM 0 HB3 LEU A 47 -6.288 -1.634 -1.268 1.00 32.41 H new ATOM 0 HG LEU A 47 -6.558 0.891 -1.061 1.00 61.44 H new ATOM 0 HD11 LEU A 47 -9.003 0.787 -0.790 1.00 11.43 H new ATOM 0 HD12 LEU A 47 -8.380 -0.515 -1.832 1.00 11.43 H new ATOM 0 HD13 LEU A 47 -8.851 -0.868 -0.152 1.00 11.43 H new ATOM 0 HD21 LEU A 47 -7.655 1.695 1.028 1.00 70.53 H new ATOM 0 HD22 LEU A 47 -7.396 0.094 1.761 1.00 70.53 H new ATOM 0 HD23 LEU A 47 -6.001 1.110 1.325 1.00 70.53 H new ATOM 793 N LYS A 48 -7.967 -3.636 0.344 1.00 52.33 N ATOM 794 CA LYS A 48 -9.312 -4.156 0.557 1.00 54.10 C ATOM 795 C LYS A 48 -9.465 -4.721 1.969 1.00 25.41 C ATOM 796 O LYS A 48 -10.513 -4.557 2.607 1.00 42.33 O ATOM 797 CB LYS A 48 -9.776 -5.125 -0.551 1.00 63.32 C ATOM 798 CG LYS A 48 -8.905 -6.350 -0.790 1.00 23.52 C ATOM 799 CD LYS A 48 -9.466 -7.190 -1.933 1.00 64.34 C ATOM 800 CE LYS A 48 -9.480 -6.412 -3.249 1.00 3.10 C ATOM 801 NZ LYS A 48 -10.176 -7.143 -4.323 1.00 33.32 N ATOM 0 H LYS A 48 -7.412 -4.118 -0.363 1.00 52.33 H new ATOM 0 HA LYS A 48 -9.999 -3.313 0.478 1.00 54.10 H new ATOM 0 HB2 LYS A 48 -10.783 -5.464 -0.308 1.00 63.32 H new ATOM 0 HB3 LYS A 48 -9.845 -4.568 -1.485 1.00 63.32 H new ATOM 0 HG2 LYS A 48 -7.887 -6.039 -1.025 1.00 23.52 H new ATOM 0 HG3 LYS A 48 -8.854 -6.950 0.119 1.00 23.52 H new ATOM 0 HD2 LYS A 48 -8.867 -8.093 -2.050 1.00 64.34 H new ATOM 0 HD3 LYS A 48 -10.479 -7.509 -1.688 1.00 64.34 H new ATOM 0 HE2 LYS A 48 -9.966 -5.449 -3.094 1.00 3.10 H new ATOM 0 HE3 LYS A 48 -8.455 -6.206 -3.558 1.00 3.10 H new ATOM 0 HZ1 LYS A 48 -10.160 -6.577 -5.195 1.00 33.32 H new ATOM 0 HZ2 LYS A 48 -9.698 -8.051 -4.491 1.00 33.32 H new ATOM 0 HZ3 LYS A 48 -11.162 -7.318 -4.042 1.00 33.32 H new ATOM 815 N ILE A 49 -8.395 -5.327 2.469 1.00 54.11 N ATOM 816 CA ILE A 49 -8.345 -5.795 3.849 1.00 1.24 C ATOM 817 C ILE A 49 -8.489 -4.596 4.801 1.00 2.41 C ATOM 818 O ILE A 49 -9.305 -4.612 5.726 1.00 64.12 O ATOM 819 CB ILE A 49 -6.999 -6.519 4.144 1.00 62.52 C ATOM 820 CG1 ILE A 49 -6.861 -7.772 3.274 1.00 62.35 C ATOM 821 CG2 ILE A 49 -6.880 -6.870 5.621 1.00 5.22 C ATOM 822 CD1 ILE A 49 -5.548 -8.508 3.446 1.00 35.31 C ATOM 0 H ILE A 49 -7.545 -5.507 1.935 1.00 54.11 H new ATOM 0 HA ILE A 49 -9.162 -6.500 4.002 1.00 1.24 H new ATOM 0 HB ILE A 49 -6.185 -5.837 3.896 1.00 62.52 H new ATOM 0 HG12 ILE A 49 -7.679 -8.453 3.506 1.00 62.35 H new ATOM 0 HG13 ILE A 49 -6.970 -7.488 2.227 1.00 62.35 H new ATOM 0 HG21 ILE A 49 -5.931 -7.375 5.800 1.00 5.22 H new ATOM 0 HG22 ILE A 49 -6.924 -5.958 6.216 1.00 5.22 H new ATOM 0 HG23 ILE A 49 -7.700 -7.529 5.906 1.00 5.22 H new ATOM 0 HD11 ILE A 49 -5.533 -9.382 2.795 1.00 35.31 H new ATOM 0 HD12 ILE A 49 -4.723 -7.846 3.184 1.00 35.31 H new ATOM 0 HD13 ILE A 49 -5.443 -8.827 4.483 1.00 35.31 H new ATOM 834 N ALA A 50 -7.759 -3.540 4.486 1.00 44.20 N ATOM 835 CA ALA A 50 -7.718 -2.319 5.281 1.00 11.21 C ATOM 836 C ALA A 50 -9.065 -1.638 5.313 1.00 70.10 C ATOM 837 O ALA A 50 -9.482 -1.099 6.332 1.00 34.45 O ATOM 838 CB ALA A 50 -6.707 -1.372 4.695 1.00 53.40 C ATOM 0 H ALA A 50 -7.167 -3.504 3.656 1.00 44.20 H new ATOM 0 HA ALA A 50 -7.441 -2.590 6.300 1.00 11.21 H new ATOM 0 HB1 ALA A 50 -6.676 -0.459 5.290 1.00 53.40 H new ATOM 0 HB2 ALA A 50 -5.723 -1.841 4.700 1.00 53.40 H new ATOM 0 HB3 ALA A 50 -6.988 -1.128 3.670 1.00 53.40 H new ATOM 844 N TYR A 51 -9.722 -1.647 4.189 1.00 50.04 N ATOM 845 CA TYR A 51 -11.005 -1.044 4.049 1.00 11.22 C ATOM 846 C TYR A 51 -12.089 -1.815 4.804 1.00 40.54 C ATOM 847 O TYR A 51 -12.815 -1.224 5.595 1.00 51.22 O ATOM 848 CB TYR A 51 -11.352 -0.863 2.562 1.00 31.54 C ATOM 849 CG TYR A 51 -12.786 -0.484 2.306 1.00 42.44 C ATOM 850 CD1 TYR A 51 -13.270 0.786 2.584 1.00 73.13 C ATOM 851 CD2 TYR A 51 -13.655 -1.421 1.811 1.00 52.31 C ATOM 852 CE1 TYR A 51 -14.596 1.103 2.366 1.00 33.41 C ATOM 853 CE2 TYR A 51 -14.981 -1.124 1.592 1.00 14.05 C ATOM 854 CZ TYR A 51 -15.447 0.141 1.871 1.00 45.04 C ATOM 855 OH TYR A 51 -16.779 0.435 1.663 1.00 12.24 O ATOM 0 H TYR A 51 -9.372 -2.081 3.335 1.00 50.04 H new ATOM 0 HA TYR A 51 -10.964 -0.056 4.507 1.00 11.22 H new ATOM 0 HB2 TYR A 51 -10.704 -0.095 2.140 1.00 31.54 H new ATOM 0 HB3 TYR A 51 -11.133 -1.791 2.034 1.00 31.54 H new ATOM 0 HD1 TYR A 51 -12.600 1.537 2.976 1.00 73.13 H new ATOM 0 HD2 TYR A 51 -13.292 -2.413 1.588 1.00 52.31 H new ATOM 0 HE1 TYR A 51 -14.962 2.096 2.582 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -15.651 -1.877 1.204 1.00 14.05 H new ATOM 0 HH TYR A 51 -17.237 -0.356 1.309 1.00 12.24 H new ATOM 865 N TYR A 52 -12.183 -3.120 4.590 1.00 52.41 N ATOM 866 CA TYR A 52 -13.241 -3.907 5.233 1.00 3.45 C ATOM 867 C TYR A 52 -13.026 -4.070 6.734 1.00 25.43 C ATOM 868 O TYR A 52 -13.968 -3.960 7.518 1.00 40.30 O ATOM 869 CB TYR A 52 -13.466 -5.252 4.544 1.00 51.32 C ATOM 870 CG TYR A 52 -14.096 -5.129 3.170 1.00 74.11 C ATOM 871 CD1 TYR A 52 -15.396 -4.664 3.030 1.00 25.42 C ATOM 872 CD2 TYR A 52 -13.405 -5.487 2.026 1.00 1.22 C ATOM 873 CE1 TYR A 52 -15.986 -4.557 1.788 1.00 72.42 C ATOM 874 CE2 TYR A 52 -13.985 -5.383 0.780 1.00 0.00 C ATOM 875 CZ TYR A 52 -15.276 -4.915 0.667 1.00 75.33 C ATOM 876 OH TYR A 52 -15.860 -4.810 -0.574 1.00 10.50 O ATOM 0 H TYR A 52 -11.555 -3.654 3.989 1.00 52.41 H new ATOM 0 HA TYR A 52 -14.157 -3.329 5.111 1.00 3.45 H new ATOM 0 HB2 TYR A 52 -12.511 -5.769 4.452 1.00 51.32 H new ATOM 0 HB3 TYR A 52 -14.104 -5.872 5.174 1.00 51.32 H new ATOM 0 HD1 TYR A 52 -15.956 -4.381 3.909 1.00 25.42 H new ATOM 0 HD2 TYR A 52 -12.393 -5.855 2.111 1.00 1.22 H new ATOM 0 HE1 TYR A 52 -16.999 -4.194 1.697 1.00 72.42 H new ATOM 0 HE2 TYR A 52 -13.431 -5.667 -0.103 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.224 -5.102 -1.260 1.00 10.50 H new ATOM 886 N LEU A 53 -11.792 -4.289 7.135 1.00 43.52 N ATOM 887 CA LEU A 53 -11.474 -4.396 8.560 1.00 35.04 C ATOM 888 C LEU A 53 -11.415 -3.017 9.196 1.00 52.42 C ATOM 889 O LEU A 53 -11.399 -2.892 10.424 1.00 34.31 O ATOM 890 CB LEU A 53 -10.172 -5.171 8.801 1.00 34.25 C ATOM 891 CG LEU A 53 -10.209 -6.664 8.448 1.00 75.05 C ATOM 892 CD1 LEU A 53 -8.851 -7.299 8.672 1.00 73.24 C ATOM 893 CD2 LEU A 53 -11.260 -7.379 9.282 1.00 30.33 C ATOM 0 H LEU A 53 -10.994 -4.397 6.509 1.00 43.52 H new ATOM 0 HA LEU A 53 -12.274 -4.964 9.035 1.00 35.04 H new ATOM 0 HB2 LEU A 53 -9.378 -4.700 8.222 1.00 34.25 H new ATOM 0 HB3 LEU A 53 -9.902 -5.072 9.852 1.00 34.25 H new ATOM 0 HG LEU A 53 -10.469 -6.759 7.394 1.00 75.05 H new ATOM 0 HD11 LEU A 53 -8.898 -8.358 8.416 1.00 73.24 H new ATOM 0 HD12 LEU A 53 -8.110 -6.806 8.042 1.00 73.24 H new ATOM 0 HD13 LEU A 53 -8.567 -7.191 9.719 1.00 73.24 H new ATOM 0 HD21 LEU A 53 -11.274 -8.437 9.020 1.00 30.33 H new ATOM 0 HD22 LEU A 53 -11.021 -7.270 10.340 1.00 30.33 H new ATOM 0 HD23 LEU A 53 -12.239 -6.943 9.085 1.00 30.33 H new ATOM 904 N ASN A 54 -11.450 -2.001 8.328 1.00 23.44 N ATOM 905 CA ASN A 54 -11.396 -0.575 8.662 1.00 34.54 C ATOM 906 C ASN A 54 -10.302 -0.284 9.659 1.00 23.31 C ATOM 907 O ASN A 54 -10.538 -0.191 10.874 1.00 53.04 O ATOM 908 CB ASN A 54 -12.754 -0.021 9.125 1.00 0.13 C ATOM 909 CG ASN A 54 -12.753 1.498 9.270 1.00 2.32 C ATOM 910 OD1 ASN A 54 -12.448 2.041 10.334 1.00 41.33 O ATOM 911 ND2 ASN A 54 -13.132 2.187 8.225 1.00 61.11 N ATOM 0 H ASN A 54 -11.520 -2.159 7.323 1.00 23.44 H new ATOM 0 HA ASN A 54 -11.152 -0.048 7.740 1.00 34.54 H new ATOM 0 HB2 ASN A 54 -13.523 -0.313 8.410 1.00 0.13 H new ATOM 0 HB3 ASN A 54 -13.019 -0.473 10.081 1.00 0.13 H new ATOM 0 HD21 ASN A 54 -13.182 3.205 8.276 1.00 61.11 H new ATOM 0 HD22 ASN A 54 -13.378 1.707 7.359 1.00 61.11 H new ATOM 918 N THR A 55 -9.108 -0.242 9.171 1.00 45.02 N ATOM 919 CA THR A 55 -7.954 -0.023 9.965 1.00 24.13 C ATOM 920 C THR A 55 -6.913 0.530 9.022 1.00 75.14 C ATOM 921 O THR A 55 -6.894 0.121 7.852 1.00 45.22 O ATOM 922 CB THR A 55 -7.451 -1.377 10.590 1.00 33.24 C ATOM 923 OG1 THR A 55 -8.497 -1.993 11.365 1.00 22.11 O ATOM 924 CG2 THR A 55 -6.247 -1.167 11.491 1.00 53.13 C ATOM 0 H THR A 55 -8.906 -0.363 8.179 1.00 45.02 H new ATOM 0 HA THR A 55 -8.159 0.657 10.791 1.00 24.13 H new ATOM 0 HB THR A 55 -7.165 -2.023 9.760 1.00 33.24 H new ATOM 0 HG1 THR A 55 -8.115 -2.379 12.181 1.00 22.11 H new ATOM 0 HG21 THR A 55 -5.930 -2.125 11.903 1.00 53.13 H new ATOM 0 HG22 THR A 55 -5.431 -0.733 10.913 1.00 53.13 H new ATOM 0 HG23 THR A 55 -6.515 -0.493 12.304 1.00 53.13 H new ATOM 932 N PRO A 56 -6.115 1.523 9.457 1.00 2.53 N ATOM 933 CA PRO A 56 -5.036 2.052 8.646 1.00 62.14 C ATOM 934 C PRO A 56 -4.157 0.920 8.128 1.00 22.43 C ATOM 935 O PRO A 56 -3.770 0.023 8.894 1.00 73.34 O ATOM 936 CB PRO A 56 -4.245 2.930 9.618 1.00 52.13 C ATOM 937 CG PRO A 56 -5.227 3.334 10.659 1.00 3.21 C ATOM 938 CD PRO A 56 -6.234 2.223 10.753 1.00 22.03 C ATOM 0 HA PRO A 56 -5.393 2.598 7.773 1.00 62.14 H new ATOM 0 HB2 PRO A 56 -3.410 2.382 10.055 1.00 52.13 H new ATOM 0 HB3 PRO A 56 -3.826 3.800 9.112 1.00 52.13 H new ATOM 0 HG2 PRO A 56 -4.733 3.491 11.618 1.00 3.21 H new ATOM 0 HG3 PRO A 56 -5.710 4.274 10.392 1.00 3.21 H new ATOM 0 HD2 PRO A 56 -6.017 1.557 11.588 1.00 22.03 H new ATOM 0 HD3 PRO A 56 -7.242 2.609 10.907 1.00 22.03 H new ATOM 946 N LEU A 57 -3.852 0.967 6.843 1.00 62.42 N ATOM 947 CA LEU A 57 -3.053 -0.058 6.161 1.00 13.13 C ATOM 948 C LEU A 57 -1.738 -0.258 6.886 1.00 71.12 C ATOM 949 O LEU A 57 -1.273 -1.384 7.063 1.00 53.41 O ATOM 950 CB LEU A 57 -2.733 0.350 4.703 1.00 34.12 C ATOM 951 CG LEU A 57 -3.895 0.558 3.711 1.00 42.20 C ATOM 952 CD1 LEU A 57 -4.703 1.819 4.010 1.00 35.04 C ATOM 953 CD2 LEU A 57 -3.358 0.595 2.302 1.00 13.21 C ATOM 0 H LEU A 57 -4.152 1.724 6.229 1.00 62.42 H new ATOM 0 HA LEU A 57 -3.640 -0.976 6.160 1.00 13.13 H new ATOM 0 HB2 LEU A 57 -2.162 1.278 4.739 1.00 34.12 H new ATOM 0 HB3 LEU A 57 -2.076 -0.413 4.285 1.00 34.12 H new ATOM 0 HG LEU A 57 -4.578 -0.284 3.823 1.00 42.20 H new ATOM 0 HD11 LEU A 57 -5.508 1.917 3.282 1.00 35.04 H new ATOM 0 HD12 LEU A 57 -5.127 1.751 5.012 1.00 35.04 H new ATOM 0 HD13 LEU A 57 -4.052 2.691 3.950 1.00 35.04 H new ATOM 0 HD21 LEU A 57 -4.181 0.742 1.603 1.00 13.21 H new ATOM 0 HD22 LEU A 57 -2.648 1.416 2.205 1.00 13.21 H new ATOM 0 HD23 LEU A 57 -2.856 -0.347 2.079 1.00 13.21 H new ATOM 964 N GLU A 58 -1.189 0.850 7.328 1.00 41.15 N ATOM 965 CA GLU A 58 0.073 0.914 8.043 1.00 25.13 C ATOM 966 C GLU A 58 0.017 0.140 9.368 1.00 23.31 C ATOM 967 O GLU A 58 1.026 -0.363 9.841 1.00 41.22 O ATOM 968 CB GLU A 58 0.386 2.377 8.314 1.00 25.40 C ATOM 969 CG GLU A 58 0.367 3.224 7.059 1.00 63.30 C ATOM 970 CD GLU A 58 0.501 4.691 7.335 1.00 34.03 C ATOM 971 OE1 GLU A 58 1.638 5.189 7.424 1.00 53.22 O ATOM 972 OE2 GLU A 58 -0.534 5.383 7.437 1.00 71.30 O ATOM 0 H GLU A 58 -1.621 1.765 7.197 1.00 41.15 H new ATOM 0 HA GLU A 58 0.851 0.454 7.433 1.00 25.13 H new ATOM 0 HB2 GLU A 58 -0.339 2.773 9.025 1.00 25.40 H new ATOM 0 HB3 GLU A 58 1.367 2.453 8.783 1.00 25.40 H new ATOM 0 HG2 GLU A 58 1.179 2.909 6.403 1.00 63.30 H new ATOM 0 HG3 GLU A 58 -0.565 3.045 6.522 1.00 63.30 H new ATOM 979 N ASP A 59 -1.147 0.118 9.988 1.00 34.01 N ATOM 980 CA ASP A 59 -1.355 -0.607 11.244 1.00 63.41 C ATOM 981 C ASP A 59 -1.383 -2.110 10.994 1.00 42.14 C ATOM 982 O ASP A 59 -0.813 -2.907 11.756 1.00 72.41 O ATOM 983 CB ASP A 59 -2.655 -0.161 11.921 1.00 22.41 C ATOM 984 CG ASP A 59 -2.800 -0.699 13.328 1.00 52.54 C ATOM 985 OD1 ASP A 59 -2.114 -0.180 14.236 1.00 60.45 O ATOM 986 OD2 ASP A 59 -3.624 -1.601 13.577 1.00 14.52 O ATOM 0 H ASP A 59 -1.978 0.598 9.643 1.00 34.01 H new ATOM 0 HA ASP A 59 -0.523 -0.377 11.909 1.00 63.41 H new ATOM 0 HB2 ASP A 59 -2.690 0.928 11.948 1.00 22.41 H new ATOM 0 HB3 ASP A 59 -3.503 -0.492 11.322 1.00 22.41 H new ATOM 991 N ILE A 60 -2.047 -2.472 9.903 1.00 25.13 N ATOM 992 CA ILE A 60 -2.261 -3.865 9.522 1.00 73.13 C ATOM 993 C ILE A 60 -0.963 -4.497 9.042 1.00 51.12 C ATOM 994 O ILE A 60 -0.559 -5.564 9.511 1.00 44.15 O ATOM 995 CB ILE A 60 -3.357 -4.018 8.431 1.00 50.03 C ATOM 996 CG1 ILE A 60 -4.643 -3.319 8.878 1.00 75.01 C ATOM 997 CG2 ILE A 60 -3.632 -5.503 8.160 1.00 14.41 C ATOM 998 CD1 ILE A 60 -5.776 -3.406 7.883 1.00 50.54 C ATOM 0 H ILE A 60 -2.456 -1.802 9.252 1.00 25.13 H new ATOM 0 HA ILE A 60 -2.609 -4.385 10.415 1.00 73.13 H new ATOM 0 HB ILE A 60 -3.003 -3.553 7.511 1.00 50.03 H new ATOM 0 HG12 ILE A 60 -4.970 -3.755 9.822 1.00 75.01 H new ATOM 0 HG13 ILE A 60 -4.424 -2.269 9.070 1.00 75.01 H new ATOM 0 HG21 ILE A 60 -4.402 -5.597 7.394 1.00 14.41 H new ATOM 0 HG22 ILE A 60 -2.717 -5.986 7.816 1.00 14.41 H new ATOM 0 HG23 ILE A 60 -3.973 -5.983 9.077 1.00 14.41 H new ATOM 0 HD11 ILE A 60 -6.648 -2.885 8.278 1.00 50.54 H new ATOM 0 HD12 ILE A 60 -5.472 -2.943 6.944 1.00 50.54 H new ATOM 0 HD13 ILE A 60 -6.027 -4.452 7.708 1.00 50.54 H new ATOM 1010 N PHE A 61 -0.332 -3.860 8.094 1.00 35.15 N ATOM 1011 CA PHE A 61 0.911 -4.357 7.593 1.00 22.52 C ATOM 1012 C PHE A 61 2.026 -3.418 7.970 1.00 61.31 C ATOM 1013 O PHE A 61 1.885 -2.196 7.889 1.00 64.35 O ATOM 1014 CB PHE A 61 0.851 -4.516 6.051 1.00 0.12 C ATOM 1015 CG PHE A 61 -0.178 -5.502 5.573 1.00 21.33 C ATOM 1016 CD1 PHE A 61 0.121 -6.850 5.500 1.00 71.31 C ATOM 1017 CD2 PHE A 61 -1.444 -5.081 5.194 1.00 50.52 C ATOM 1018 CE1 PHE A 61 -0.820 -7.760 5.062 1.00 50.13 C ATOM 1019 CE2 PHE A 61 -2.389 -5.987 4.756 1.00 53.10 C ATOM 1020 CZ PHE A 61 -2.076 -7.328 4.690 1.00 22.32 C ATOM 0 H PHE A 61 -0.660 -2.999 7.657 1.00 35.15 H new ATOM 0 HA PHE A 61 1.100 -5.335 8.036 1.00 22.52 H new ATOM 0 HB2 PHE A 61 0.641 -3.544 5.605 1.00 0.12 H new ATOM 0 HB3 PHE A 61 1.831 -4.828 5.691 1.00 0.12 H new ATOM 0 HD1 PHE A 61 1.103 -7.195 5.789 1.00 71.31 H new ATOM 0 HD2 PHE A 61 -1.694 -4.031 5.242 1.00 50.52 H new ATOM 0 HE1 PHE A 61 -0.573 -8.810 5.011 1.00 50.13 H new ATOM 0 HE2 PHE A 61 -3.372 -5.646 4.466 1.00 53.10 H new ATOM 0 HZ PHE A 61 -2.813 -8.039 4.348 1.00 22.32 H new ATOM 1030 N GLN A 62 3.138 -3.973 8.347 1.00 72.24 N ATOM 1031 CA GLN A 62 4.281 -3.192 8.640 1.00 2.15 C ATOM 1032 C GLN A 62 5.260 -3.413 7.538 1.00 41.21 C ATOM 1033 O GLN A 62 5.630 -4.556 7.223 1.00 54.12 O ATOM 1034 CB GLN A 62 4.896 -3.538 10.004 1.00 43.12 C ATOM 1035 CG GLN A 62 6.152 -2.729 10.312 1.00 54.21 C ATOM 1036 CD GLN A 62 6.802 -3.068 11.639 1.00 62.30 C ATOM 1037 OE1 GLN A 62 8.016 -2.982 11.775 1.00 51.34 O ATOM 1038 NE2 GLN A 62 6.023 -3.376 12.637 1.00 41.41 N ATOM 0 H GLN A 62 3.269 -4.978 8.457 1.00 72.24 H new ATOM 0 HA GLN A 62 3.998 -2.142 8.706 1.00 2.15 H new ATOM 0 HB2 GLN A 62 4.156 -3.363 10.785 1.00 43.12 H new ATOM 0 HB3 GLN A 62 5.139 -4.600 10.028 1.00 43.12 H new ATOM 0 HG2 GLN A 62 6.877 -2.888 9.514 1.00 54.21 H new ATOM 0 HG3 GLN A 62 5.898 -1.669 10.305 1.00 54.21 H new ATOM 0 HE21 GLN A 62 5.015 -3.441 12.496 1.00 41.41 H new ATOM 0 HE22 GLN A 62 6.421 -3.552 13.559 1.00 41.41 H new ATOM 1047 N TRP A 63 5.664 -2.355 6.954 1.00 13.44 N ATOM 1048 CA TRP A 63 6.536 -2.393 5.837 1.00 61.35 C ATOM 1049 C TRP A 63 7.813 -1.633 6.080 1.00 61.52 C ATOM 1050 O TRP A 63 7.804 -0.495 6.574 1.00 24.43 O ATOM 1051 CB TRP A 63 5.813 -1.915 4.573 1.00 14.01 C ATOM 1052 CG TRP A 63 4.734 -0.887 4.823 1.00 34.23 C ATOM 1053 CD1 TRP A 63 4.873 0.342 5.399 1.00 3.21 C ATOM 1054 CD2 TRP A 63 3.350 -1.010 4.488 1.00 53.32 C ATOM 1055 NE1 TRP A 63 3.671 0.977 5.457 1.00 11.14 N ATOM 1056 CE2 TRP A 63 2.714 0.173 4.899 1.00 74.31 C ATOM 1057 CE3 TRP A 63 2.586 -2.011 3.883 1.00 30.24 C ATOM 1058 CZ2 TRP A 63 1.354 0.384 4.723 1.00 33.44 C ATOM 1059 CZ3 TRP A 63 1.236 -1.798 3.707 1.00 3.40 C ATOM 1060 CH2 TRP A 63 0.632 -0.612 4.125 1.00 31.53 C ATOM 0 H TRP A 63 5.395 -1.414 7.241 1.00 13.44 H new ATOM 0 HA TRP A 63 6.830 -3.431 5.684 1.00 61.35 H new ATOM 0 HB2 TRP A 63 6.547 -1.494 3.886 1.00 14.01 H new ATOM 0 HB3 TRP A 63 5.369 -2.777 4.075 1.00 14.01 H new ATOM 0 HD1 TRP A 63 5.805 0.753 5.758 1.00 3.21 H new ATOM 0 HE1 TRP A 63 3.509 1.903 5.853 1.00 11.14 H new ATOM 0 HE3 TRP A 63 3.045 -2.934 3.560 1.00 30.24 H new ATOM 0 HZ2 TRP A 63 0.883 1.301 5.046 1.00 33.44 H new ATOM 0 HZ3 TRP A 63 0.635 -2.563 3.237 1.00 3.40 H new ATOM 0 HH2 TRP A 63 -0.429 -0.477 3.973 1.00 31.53 H new ATOM 1071 N GLN A 64 8.894 -2.295 5.785 1.00 35.50 N ATOM 1072 CA GLN A 64 10.225 -1.761 5.866 1.00 11.44 C ATOM 1073 C GLN A 64 10.837 -1.894 4.477 1.00 30.22 C ATOM 1074 O GLN A 64 10.855 -3.010 3.918 1.00 33.31 O ATOM 1075 CB GLN A 64 11.049 -2.575 6.872 1.00 44.22 C ATOM 1076 CG GLN A 64 10.550 -2.523 8.307 1.00 32.13 C ATOM 1077 CD GLN A 64 10.846 -1.206 8.998 1.00 24.43 C ATOM 1078 OE1 GLN A 64 10.939 -0.147 8.368 1.00 13.50 O ATOM 1079 NE2 GLN A 64 10.982 -1.255 10.288 1.00 53.21 N ATOM 0 H GLN A 64 8.872 -3.264 5.467 1.00 35.50 H new ATOM 0 HA GLN A 64 10.212 -0.722 6.194 1.00 11.44 H new ATOM 0 HB2 GLN A 64 11.066 -3.615 6.547 1.00 44.22 H new ATOM 0 HB3 GLN A 64 12.078 -2.217 6.849 1.00 44.22 H new ATOM 0 HG2 GLN A 64 9.474 -2.696 8.317 1.00 32.13 H new ATOM 0 HG3 GLN A 64 11.009 -3.334 8.873 1.00 32.13 H new ATOM 0 HE21 GLN A 64 10.899 -2.147 10.776 1.00 53.21 H new ATOM 0 HE22 GLN A 64 11.172 -0.402 10.814 1.00 53.21 H new ATOM 1088 N PRO A 65 11.306 -0.786 3.885 1.00 63.05 N ATOM 1089 CA PRO A 65 11.883 -0.735 2.508 1.00 13.14 C ATOM 1090 C PRO A 65 13.278 -1.392 2.396 1.00 44.11 C ATOM 1091 O PRO A 65 14.159 -0.919 1.658 1.00 4.41 O ATOM 1092 CB PRO A 65 11.971 0.784 2.239 1.00 11.15 C ATOM 1093 CG PRO A 65 11.098 1.390 3.282 1.00 34.32 C ATOM 1094 CD PRO A 65 11.308 0.543 4.482 1.00 62.43 C ATOM 0 HA PRO A 65 11.276 -1.290 1.793 1.00 13.14 H new ATOM 0 HB2 PRO A 65 12.997 1.144 2.320 1.00 11.15 H new ATOM 0 HB3 PRO A 65 11.624 1.032 1.236 1.00 11.15 H new ATOM 0 HG2 PRO A 65 11.372 2.427 3.475 1.00 34.32 H new ATOM 0 HG3 PRO A 65 10.052 1.389 2.974 1.00 34.32 H new ATOM 0 HD2 PRO A 65 12.248 0.768 4.986 1.00 62.43 H new ATOM 0 HD3 PRO A 65 10.514 0.666 5.218 1.00 62.43 H new ATOM 1102 N GLU A 66 13.410 -2.520 3.036 1.00 22.55 N ATOM 1103 CA GLU A 66 14.624 -3.276 3.071 1.00 60.44 C ATOM 1104 C GLU A 66 14.354 -4.637 2.491 1.00 3.22 C ATOM 1105 O GLU A 66 14.642 -4.845 1.302 1.00 11.44 O ATOM 1106 CB GLU A 66 15.193 -3.423 4.485 1.00 14.51 C ATOM 1107 CG GLU A 66 15.773 -2.165 5.126 1.00 33.32 C ATOM 1108 CD GLU A 66 14.757 -1.116 5.483 1.00 75.24 C ATOM 1109 OE1 GLU A 66 13.960 -1.348 6.417 1.00 24.43 O ATOM 1110 OE2 GLU A 66 14.751 -0.042 4.865 1.00 31.01 O ATOM 1111 OXT GLU A 66 13.794 -5.500 3.204 1.00 0.00 O ATOM 0 H GLU A 66 12.650 -2.949 3.563 1.00 22.55 H new ATOM 0 HA GLU A 66 15.371 -2.738 2.487 1.00 60.44 H new ATOM 0 HB2 GLU A 66 14.402 -3.801 5.132 1.00 14.51 H new ATOM 0 HB3 GLU A 66 15.974 -4.183 4.460 1.00 14.51 H new ATOM 0 HG2 GLU A 66 16.314 -2.450 6.029 1.00 33.32 H new ATOM 0 HG3 GLU A 66 16.501 -1.728 4.443 1.00 33.32 H new ATOM 1119 N MET B 67 -10.296 1.479 -8.228 1.00 4.52 N ATOM 1120 CA MET B 67 -9.681 2.513 -9.059 1.00 15.43 C ATOM 1121 C MET B 67 -8.626 3.242 -8.261 1.00 54.41 C ATOM 1122 O MET B 67 -8.849 3.582 -7.096 1.00 33.23 O ATOM 1123 CB MET B 67 -10.730 3.495 -9.588 1.00 32.24 C ATOM 1124 CG MET B 67 -11.758 2.853 -10.500 1.00 0.23 C ATOM 1125 SD MET B 67 -10.999 2.041 -11.921 1.00 54.32 S ATOM 1126 CE MET B 67 -12.451 1.383 -12.742 1.00 74.51 C ATOM 0 HA MET B 67 -9.214 2.035 -9.920 1.00 15.43 H new ATOM 0 HB2 MET B 67 -11.243 3.955 -8.744 1.00 32.24 H new ATOM 0 HB3 MET B 67 -10.226 4.295 -10.129 1.00 32.24 H new ATOM 0 HG2 MET B 67 -12.338 2.124 -9.934 1.00 0.23 H new ATOM 0 HG3 MET B 67 -12.456 3.614 -10.849 1.00 0.23 H new ATOM 0 HE1 MET B 67 -12.149 0.850 -13.644 1.00 74.51 H new ATOM 0 HE2 MET B 67 -12.969 0.697 -12.071 1.00 74.51 H new ATOM 0 HE3 MET B 67 -13.119 2.201 -13.011 1.00 74.51 H new ATOM 1138 N ILE B 68 -7.476 3.464 -8.866 1.00 22.43 N ATOM 1139 CA ILE B 68 -6.362 4.110 -8.195 1.00 32.41 C ATOM 1140 C ILE B 68 -6.085 5.478 -8.822 1.00 45.13 C ATOM 1141 O ILE B 68 -6.040 5.621 -10.052 1.00 32.11 O ATOM 1142 CB ILE B 68 -5.069 3.221 -8.248 1.00 73.54 C ATOM 1143 CG1 ILE B 68 -5.314 1.848 -7.581 1.00 72.41 C ATOM 1144 CG2 ILE B 68 -3.864 3.924 -7.607 1.00 51.03 C ATOM 1145 CD1 ILE B 68 -5.710 1.916 -6.115 1.00 54.01 C ATOM 0 H ILE B 68 -7.286 3.203 -9.834 1.00 22.43 H new ATOM 0 HA ILE B 68 -6.636 4.245 -7.149 1.00 32.41 H new ATOM 0 HB ILE B 68 -4.834 3.059 -9.300 1.00 73.54 H new ATOM 0 HG12 ILE B 68 -6.097 1.327 -8.131 1.00 72.41 H new ATOM 0 HG13 ILE B 68 -4.408 1.249 -7.671 1.00 72.41 H new ATOM 0 HG21 ILE B 68 -2.991 3.274 -7.665 1.00 51.03 H new ATOM 0 HG22 ILE B 68 -3.660 4.854 -8.138 1.00 51.03 H new ATOM 0 HG23 ILE B 68 -4.084 4.144 -6.562 1.00 51.03 H new ATOM 0 HD11 ILE B 68 -5.861 0.907 -5.732 1.00 54.01 H new ATOM 0 HD12 ILE B 68 -4.919 2.405 -5.547 1.00 54.01 H new ATOM 0 HD13 ILE B 68 -6.634 2.485 -6.014 1.00 54.01 H new ATOM 1157 N ILE B 69 -5.921 6.469 -7.979 1.00 31.31 N ATOM 1158 CA ILE B 69 -5.639 7.835 -8.373 1.00 25.12 C ATOM 1159 C ILE B 69 -4.365 8.241 -7.644 1.00 13.31 C ATOM 1160 O ILE B 69 -4.269 8.048 -6.443 1.00 33.20 O ATOM 1161 CB ILE B 69 -6.800 8.841 -7.966 1.00 23.21 C ATOM 1162 CG1 ILE B 69 -8.146 8.558 -8.687 1.00 63.44 C ATOM 1163 CG2 ILE B 69 -6.390 10.294 -8.188 1.00 51.22 C ATOM 1164 CD1 ILE B 69 -8.920 7.351 -8.184 1.00 2.41 C ATOM 0 H ILE B 69 -5.981 6.347 -6.968 1.00 31.31 H new ATOM 0 HA ILE B 69 -5.544 7.881 -9.458 1.00 25.12 H new ATOM 0 HB ILE B 69 -6.963 8.673 -6.901 1.00 23.21 H new ATOM 0 HG12 ILE B 69 -8.781 9.439 -8.592 1.00 63.44 H new ATOM 0 HG13 ILE B 69 -7.946 8.422 -9.750 1.00 63.44 H new ATOM 0 HG21 ILE B 69 -7.210 10.952 -7.898 1.00 51.22 H new ATOM 0 HG22 ILE B 69 -5.512 10.521 -7.583 1.00 51.22 H new ATOM 0 HG23 ILE B 69 -6.155 10.449 -9.241 1.00 51.22 H new ATOM 0 HD11 ILE B 69 -9.842 7.246 -8.756 1.00 2.41 H new ATOM 0 HD12 ILE B 69 -8.313 6.453 -8.305 1.00 2.41 H new ATOM 0 HD13 ILE B 69 -9.161 7.487 -7.130 1.00 2.41 H new ATOM 1176 N ASN B 70 -3.391 8.754 -8.333 1.00 20.22 N ATOM 1177 CA ASN B 70 -2.164 9.137 -7.661 1.00 24.23 C ATOM 1178 C ASN B 70 -2.084 10.653 -7.512 1.00 32.00 C ATOM 1179 O ASN B 70 -2.332 11.400 -8.463 1.00 60.31 O ATOM 1180 CB ASN B 70 -0.931 8.557 -8.374 1.00 41.35 C ATOM 1181 CG ASN B 70 0.370 8.885 -7.663 1.00 44.33 C ATOM 1182 OD1 ASN B 70 0.398 9.104 -6.460 1.00 51.44 O ATOM 1183 ND2 ASN B 70 1.451 8.871 -8.379 1.00 33.01 N ATOM 0 H ASN B 70 -3.409 8.919 -9.339 1.00 20.22 H new ATOM 0 HA ASN B 70 -2.174 8.710 -6.658 1.00 24.23 H new ATOM 0 HB2 ASN B 70 -1.036 7.475 -8.448 1.00 41.35 H new ATOM 0 HB3 ASN B 70 -0.891 8.944 -9.392 1.00 41.35 H new ATOM 0 HD21 ASN B 70 2.355 9.046 -7.941 1.00 33.01 H new ATOM 0 HD22 ASN B 70 1.397 8.685 -9.381 1.00 33.01 H new ATOM 1190 N ASN B 71 -1.738 11.107 -6.325 1.00 65.43 N ATOM 1191 CA ASN B 71 -1.702 12.534 -6.003 1.00 54.20 C ATOM 1192 C ASN B 71 -0.269 12.940 -5.715 1.00 74.31 C ATOM 1193 O ASN B 71 -0.028 13.997 -5.158 1.00 70.34 O ATOM 1194 CB ASN B 71 -2.548 12.847 -4.742 1.00 72.22 C ATOM 1195 CG ASN B 71 -3.966 12.297 -4.774 1.00 20.33 C ATOM 1196 OD1 ASN B 71 -4.906 12.955 -5.231 1.00 62.01 O ATOM 1197 ND2 ASN B 71 -4.133 11.101 -4.267 1.00 62.53 N ATOM 0 H ASN B 71 -1.472 10.502 -5.548 1.00 65.43 H new ATOM 0 HA ASN B 71 -2.108 13.083 -6.853 1.00 54.20 H new ATOM 0 HB2 ASN B 71 -2.036 12.443 -3.869 1.00 72.22 H new ATOM 0 HB3 ASN B 71 -2.595 13.928 -4.612 1.00 72.22 H new ATOM 0 HD21 ASN B 71 -5.063 10.684 -4.241 1.00 62.53 H new ATOM 0 HD22 ASN B 71 -3.333 10.587 -3.899 1.00 62.53 H new ATOM 1204 N LEU B 72 0.668 12.099 -6.147 1.00 31.42 N ATOM 1205 CA LEU B 72 2.118 12.280 -5.916 1.00 41.12 C ATOM 1206 C LEU B 72 2.563 13.691 -6.304 1.00 32.41 C ATOM 1207 O LEU B 72 3.325 14.335 -5.563 1.00 15.34 O ATOM 1208 CB LEU B 72 2.919 11.195 -6.701 1.00 22.14 C ATOM 1209 CG LEU B 72 4.458 11.061 -6.481 1.00 2.34 C ATOM 1210 CD1 LEU B 72 5.261 12.175 -7.145 1.00 11.20 C ATOM 1211 CD2 LEU B 72 4.779 10.987 -5.000 1.00 33.32 C ATOM 0 H LEU B 72 0.448 11.256 -6.677 1.00 31.42 H new ATOM 0 HA LEU B 72 2.323 12.158 -4.852 1.00 41.12 H new ATOM 0 HB2 LEU B 72 2.471 10.228 -6.469 1.00 22.14 H new ATOM 0 HB3 LEU B 72 2.756 11.375 -7.764 1.00 22.14 H new ATOM 0 HG LEU B 72 4.759 10.132 -6.965 1.00 2.34 H new ATOM 0 HD11 LEU B 72 6.323 12.022 -6.953 1.00 11.20 H new ATOM 0 HD12 LEU B 72 5.081 12.162 -8.220 1.00 11.20 H new ATOM 0 HD13 LEU B 72 4.954 13.138 -6.737 1.00 11.20 H new ATOM 0 HD21 LEU B 72 5.857 10.894 -4.865 1.00 33.32 H new ATOM 0 HD22 LEU B 72 4.429 11.893 -4.506 1.00 33.32 H new ATOM 0 HD23 LEU B 72 4.283 10.121 -4.563 1.00 33.32 H new ATOM 1223 N LYS B 73 2.068 14.176 -7.438 1.00 14.34 N ATOM 1224 CA LYS B 73 2.427 15.501 -7.915 1.00 42.10 C ATOM 1225 C LYS B 73 1.992 16.588 -6.924 1.00 53.11 C ATOM 1226 O LYS B 73 2.729 17.512 -6.676 1.00 74.22 O ATOM 1227 CB LYS B 73 1.867 15.777 -9.331 1.00 5.41 C ATOM 1228 CG LYS B 73 0.343 15.774 -9.438 1.00 35.52 C ATOM 1229 CD LYS B 73 -0.129 16.045 -10.860 1.00 25.45 C ATOM 1230 CE LYS B 73 0.282 14.935 -11.823 1.00 12.21 C ATOM 1231 NZ LYS B 73 -0.197 15.194 -13.196 1.00 61.12 N ATOM 0 H LYS B 73 1.419 13.670 -8.041 1.00 14.34 H new ATOM 0 HA LYS B 73 3.514 15.531 -7.987 1.00 42.10 H new ATOM 0 HB2 LYS B 73 2.237 16.745 -9.669 1.00 5.41 H new ATOM 0 HB3 LYS B 73 2.265 15.027 -10.015 1.00 5.41 H new ATOM 0 HG2 LYS B 73 -0.042 14.810 -9.106 1.00 35.52 H new ATOM 0 HG3 LYS B 73 -0.069 16.529 -8.769 1.00 35.52 H new ATOM 0 HD2 LYS B 73 -1.214 16.148 -10.868 1.00 25.45 H new ATOM 0 HD3 LYS B 73 0.283 16.994 -11.204 1.00 25.45 H new ATOM 0 HE2 LYS B 73 1.368 14.842 -11.828 1.00 12.21 H new ATOM 0 HE3 LYS B 73 -0.117 13.983 -11.472 1.00 12.21 H new ATOM 0 HZ1 LYS B 73 0.102 14.418 -13.820 1.00 61.12 H new ATOM 0 HZ2 LYS B 73 -1.235 15.257 -13.195 1.00 61.12 H new ATOM 0 HZ3 LYS B 73 0.204 16.090 -13.540 1.00 61.12 H new ATOM 1245 N LEU B 74 0.800 16.446 -6.349 1.00 3.54 N ATOM 1246 CA LEU B 74 0.280 17.400 -5.375 1.00 24.22 C ATOM 1247 C LEU B 74 1.191 17.516 -4.156 1.00 33.32 C ATOM 1248 O LEU B 74 1.528 18.625 -3.738 1.00 35.35 O ATOM 1249 CB LEU B 74 -1.123 16.979 -4.946 1.00 15.15 C ATOM 1250 CG LEU B 74 -1.819 17.871 -3.927 1.00 23.14 C ATOM 1251 CD1 LEU B 74 -1.999 19.273 -4.475 1.00 50.24 C ATOM 1252 CD2 LEU B 74 -3.150 17.276 -3.558 1.00 34.11 C ATOM 0 H LEU B 74 0.170 15.668 -6.545 1.00 3.54 H new ATOM 0 HA LEU B 74 0.241 18.381 -5.849 1.00 24.22 H new ATOM 0 HB2 LEU B 74 -1.750 16.925 -5.836 1.00 15.15 H new ATOM 0 HB3 LEU B 74 -1.066 15.971 -4.534 1.00 15.15 H new ATOM 0 HG LEU B 74 -1.197 17.935 -3.034 1.00 23.14 H new ATOM 0 HD11 LEU B 74 -2.498 19.893 -3.731 1.00 50.24 H new ATOM 0 HD12 LEU B 74 -1.024 19.700 -4.708 1.00 50.24 H new ATOM 0 HD13 LEU B 74 -2.605 19.235 -5.381 1.00 50.24 H new ATOM 0 HD21 LEU B 74 -3.645 17.917 -2.829 1.00 34.11 H new ATOM 0 HD22 LEU B 74 -3.771 17.193 -4.450 1.00 34.11 H new ATOM 0 HD23 LEU B 74 -2.999 16.286 -3.128 1.00 34.11 H new ATOM 1264 N ILE B 75 1.620 16.372 -3.629 1.00 72.34 N ATOM 1265 CA ILE B 75 2.535 16.351 -2.484 1.00 55.53 C ATOM 1266 C ILE B 75 3.848 17.029 -2.880 1.00 3.21 C ATOM 1267 O ILE B 75 4.394 17.863 -2.146 1.00 40.20 O ATOM 1268 CB ILE B 75 2.836 14.883 -1.945 1.00 33.31 C ATOM 1269 CG1 ILE B 75 1.622 14.229 -1.243 1.00 5.53 C ATOM 1270 CG2 ILE B 75 4.028 14.863 -0.995 1.00 15.31 C ATOM 1271 CD1 ILE B 75 0.472 13.841 -2.135 1.00 1.24 C ATOM 0 H ILE B 75 1.352 15.450 -3.972 1.00 72.34 H new ATOM 0 HA ILE B 75 2.045 16.888 -1.672 1.00 55.53 H new ATOM 0 HB ILE B 75 3.067 14.297 -2.835 1.00 33.31 H new ATOM 0 HG12 ILE B 75 1.967 13.337 -0.720 1.00 5.53 H new ATOM 0 HG13 ILE B 75 1.251 14.919 -0.485 1.00 5.53 H new ATOM 0 HG21 ILE B 75 4.201 13.844 -0.649 1.00 15.31 H new ATOM 0 HG22 ILE B 75 4.915 15.225 -1.516 1.00 15.31 H new ATOM 0 HG23 ILE B 75 3.822 15.506 -0.139 1.00 15.31 H new ATOM 0 HD11 ILE B 75 -0.320 13.393 -1.534 1.00 1.24 H new ATOM 0 HD12 ILE B 75 0.087 14.728 -2.639 1.00 1.24 H new ATOM 0 HD13 ILE B 75 0.815 13.121 -2.878 1.00 1.24 H new ATOM 1283 N ARG B 76 4.334 16.664 -4.040 1.00 23.44 N ATOM 1284 CA ARG B 76 5.564 17.192 -4.554 1.00 2.23 C ATOM 1285 C ARG B 76 5.585 18.651 -4.954 1.00 61.23 C ATOM 1286 O ARG B 76 6.646 19.270 -4.952 1.00 0.10 O ATOM 1287 CB ARG B 76 6.319 16.245 -5.468 1.00 24.15 C ATOM 1288 CG ARG B 76 7.012 15.180 -4.643 1.00 71.12 C ATOM 1289 CD ARG B 76 7.866 15.883 -3.594 1.00 32.20 C ATOM 1290 NE ARG B 76 8.542 15.011 -2.642 1.00 64.13 N ATOM 1291 CZ ARG B 76 8.416 15.118 -1.312 1.00 4.20 C ATOM 1292 NH1 ARG B 76 7.392 15.788 -0.779 1.00 64.25 N ATOM 1293 NH2 ARG B 76 9.294 14.532 -0.525 1.00 51.23 N ATOM 0 H ARG B 76 3.881 15.988 -4.655 1.00 23.44 H new ATOM 0 HA ARG B 76 6.177 17.242 -3.654 1.00 2.23 H new ATOM 0 HB2 ARG B 76 5.631 15.781 -6.174 1.00 24.15 H new ATOM 0 HB3 ARG B 76 7.052 16.798 -6.055 1.00 24.15 H new ATOM 0 HG2 ARG B 76 6.279 14.530 -4.165 1.00 71.12 H new ATOM 0 HG3 ARG B 76 7.632 14.548 -5.279 1.00 71.12 H new ATOM 0 HD2 ARG B 76 8.618 16.483 -4.107 1.00 32.20 H new ATOM 0 HD3 ARG B 76 7.231 16.574 -3.039 1.00 32.20 H new ATOM 0 HE ARG B 76 9.146 14.276 -3.009 1.00 64.13 H new ATOM 0 HH11 ARG B 76 6.697 16.224 -1.385 1.00 64.25 H new ATOM 0 HH12 ARG B 76 7.304 15.864 0.234 1.00 64.25 H new ATOM 0 HH21 ARG B 76 10.065 14.000 -0.928 1.00 51.23 H new ATOM 0 HH22 ARG B 76 9.203 14.610 0.488 1.00 51.23 H new ATOM 1307 N GLU B 77 4.496 19.169 -5.436 1.00 3.43 N ATOM 1308 CA GLU B 77 4.415 20.587 -5.653 1.00 32.25 C ATOM 1309 C GLU B 77 4.310 21.381 -4.329 1.00 23.22 C ATOM 1310 O GLU B 77 4.983 22.401 -4.159 1.00 24.24 O ATOM 1311 CB GLU B 77 3.309 20.962 -6.637 1.00 73.21 C ATOM 1312 CG GLU B 77 3.477 20.327 -8.018 1.00 31.54 C ATOM 1313 CD GLU B 77 4.858 20.548 -8.613 1.00 75.21 C ATOM 1314 OE1 GLU B 77 5.211 21.700 -8.947 1.00 52.20 O ATOM 1315 OE2 GLU B 77 5.609 19.565 -8.799 1.00 73.43 O ATOM 0 H GLU B 77 3.659 18.642 -5.685 1.00 3.43 H new ATOM 0 HA GLU B 77 5.357 20.879 -6.117 1.00 32.25 H new ATOM 0 HB2 GLU B 77 2.347 20.660 -6.222 1.00 73.21 H new ATOM 0 HB3 GLU B 77 3.283 22.046 -6.746 1.00 73.21 H new ATOM 0 HG2 GLU B 77 3.287 19.256 -7.944 1.00 31.54 H new ATOM 0 HG3 GLU B 77 2.727 20.738 -8.694 1.00 31.54 H new ATOM 1322 N LYS B 78 3.442 20.919 -3.395 1.00 12.34 N ATOM 1323 CA LYS B 78 3.219 21.650 -2.122 1.00 0.30 C ATOM 1324 C LYS B 78 4.443 21.648 -1.210 1.00 41.03 C ATOM 1325 O LYS B 78 4.749 22.654 -0.570 1.00 70.21 O ATOM 1326 CB LYS B 78 1.968 21.139 -1.389 1.00 31.15 C ATOM 1327 CG LYS B 78 0.677 21.318 -2.189 1.00 63.14 C ATOM 1328 CD LYS B 78 0.397 22.786 -2.502 1.00 63.03 C ATOM 1329 CE LYS B 78 -0.790 22.935 -3.446 1.00 13.30 C ATOM 1330 NZ LYS B 78 -1.078 24.353 -3.771 1.00 22.43 N ATOM 0 H LYS B 78 2.896 20.063 -3.494 1.00 12.34 H new ATOM 0 HA LYS B 78 3.045 22.691 -2.395 1.00 0.30 H new ATOM 0 HB2 LYS B 78 2.099 20.082 -1.157 1.00 31.15 H new ATOM 0 HB3 LYS B 78 1.873 21.665 -0.439 1.00 31.15 H new ATOM 0 HG2 LYS B 78 0.747 20.756 -3.120 1.00 63.14 H new ATOM 0 HG3 LYS B 78 -0.159 20.901 -1.627 1.00 63.14 H new ATOM 0 HD2 LYS B 78 0.198 23.326 -1.576 1.00 63.03 H new ATOM 0 HD3 LYS B 78 1.281 23.239 -2.951 1.00 63.03 H new ATOM 0 HE2 LYS B 78 -0.590 22.387 -4.367 1.00 13.30 H new ATOM 0 HE3 LYS B 78 -1.671 22.483 -2.991 1.00 13.30 H new ATOM 0 HZ1 LYS B 78 -1.893 24.403 -4.415 1.00 22.43 H new ATOM 0 HZ2 LYS B 78 -1.296 24.872 -2.897 1.00 22.43 H new ATOM 0 HZ3 LYS B 78 -0.248 24.780 -4.229 1.00 22.43 H new ATOM 1344 N LYS B 79 5.140 20.559 -1.167 1.00 11.23 N ATOM 1345 CA LYS B 79 6.421 20.495 -0.513 1.00 71.54 C ATOM 1346 C LYS B 79 7.299 20.402 -1.682 1.00 62.41 C ATOM 1347 O LYS B 79 7.196 19.420 -2.392 1.00 22.21 O ATOM 1348 CB LYS B 79 6.533 19.237 0.343 1.00 24.24 C ATOM 1349 CG LYS B 79 5.396 19.078 1.337 1.00 24.13 C ATOM 1350 CD LYS B 79 5.616 17.894 2.257 1.00 4.22 C ATOM 1351 CE LYS B 79 6.846 18.080 3.143 1.00 44.25 C ATOM 1352 NZ LYS B 79 6.695 19.233 4.046 1.00 54.41 N ATOM 0 H LYS B 79 4.840 19.679 -1.586 1.00 11.23 H new ATOM 0 HA LYS B 79 6.634 21.322 0.165 1.00 71.54 H new ATOM 0 HB2 LYS B 79 6.559 18.364 -0.309 1.00 24.24 H new ATOM 0 HB3 LYS B 79 7.479 19.259 0.885 1.00 24.24 H new ATOM 0 HG2 LYS B 79 5.302 19.987 1.931 1.00 24.13 H new ATOM 0 HG3 LYS B 79 4.457 18.951 0.798 1.00 24.13 H new ATOM 0 HD2 LYS B 79 4.735 17.753 2.884 1.00 4.22 H new ATOM 0 HD3 LYS B 79 5.732 16.988 1.661 1.00 4.22 H new ATOM 0 HE2 LYS B 79 7.012 17.177 3.730 1.00 44.25 H new ATOM 0 HE3 LYS B 79 7.728 18.220 2.518 1.00 44.25 H new ATOM 0 HZ1 LYS B 79 7.425 19.193 4.785 1.00 54.41 H new ATOM 0 HZ2 LYS B 79 6.799 20.114 3.504 1.00 54.41 H new ATOM 0 HZ3 LYS B 79 5.754 19.207 4.488 1.00 54.41 H new ATOM 1366 N LYS B 80 8.237 21.292 -1.873 1.00 71.43 N ATOM 1367 CA LYS B 80 8.652 21.498 -3.241 1.00 32.42 C ATOM 1368 C LYS B 80 9.929 20.765 -3.547 1.00 13.24 C ATOM 1369 O LYS B 80 11.058 21.305 -3.478 1.00 5.54 O ATOM 1370 CB LYS B 80 8.685 22.991 -3.611 1.00 73.24 C ATOM 1371 CG LYS B 80 9.503 23.859 -2.670 1.00 40.21 C ATOM 1372 CD LYS B 80 9.450 25.311 -3.076 1.00 43.22 C ATOM 1373 CE LYS B 80 10.371 26.152 -2.219 1.00 70.42 C ATOM 1374 NZ LYS B 80 10.348 27.577 -2.605 1.00 23.43 N ATOM 0 H LYS B 80 8.702 21.852 -1.158 1.00 71.43 H new ATOM 0 HA LYS B 80 7.897 21.057 -3.892 1.00 32.42 H new ATOM 0 HB2 LYS B 80 9.087 23.093 -4.619 1.00 73.24 H new ATOM 0 HB3 LYS B 80 7.663 23.368 -3.635 1.00 73.24 H new ATOM 0 HG2 LYS B 80 9.127 23.750 -1.653 1.00 40.21 H new ATOM 0 HG3 LYS B 80 10.538 23.518 -2.666 1.00 40.21 H new ATOM 0 HD2 LYS B 80 9.734 25.409 -4.124 1.00 43.22 H new ATOM 0 HD3 LYS B 80 8.428 25.679 -2.986 1.00 43.22 H new ATOM 0 HE2 LYS B 80 10.079 26.056 -1.173 1.00 70.42 H new ATOM 0 HE3 LYS B 80 11.389 25.772 -2.302 1.00 70.42 H new ATOM 0 HZ1 LYS B 80 10.994 28.113 -1.991 1.00 23.43 H new ATOM 0 HZ2 LYS B 80 10.652 27.673 -3.595 1.00 23.43 H new ATOM 0 HZ3 LYS B 80 9.382 27.949 -2.501 1.00 23.43 H new ATOM 1388 N ILE B 81 9.750 19.517 -3.800 1.00 13.13 N ATOM 1389 CA ILE B 81 10.810 18.622 -4.091 1.00 43.54 C ATOM 1390 C ILE B 81 10.533 18.077 -5.477 1.00 51.30 C ATOM 1391 O ILE B 81 9.434 17.593 -5.736 1.00 65.41 O ATOM 1392 CB ILE B 81 10.851 17.443 -3.061 1.00 70.43 C ATOM 1393 CG1 ILE B 81 10.767 17.944 -1.594 1.00 24.32 C ATOM 1394 CG2 ILE B 81 12.094 16.590 -3.253 1.00 62.43 C ATOM 1395 CD1 ILE B 81 11.871 18.892 -1.167 1.00 1.24 C ATOM 0 H ILE B 81 8.830 19.077 -3.810 1.00 13.13 H new ATOM 0 HA ILE B 81 11.771 19.133 -4.036 1.00 43.54 H new ATOM 0 HB ILE B 81 9.971 16.829 -3.253 1.00 70.43 H new ATOM 0 HG12 ILE B 81 9.808 18.443 -1.452 1.00 24.32 H new ATOM 0 HG13 ILE B 81 10.777 17.079 -0.931 1.00 24.32 H new ATOM 0 HG21 ILE B 81 12.095 15.780 -2.524 1.00 62.43 H new ATOM 0 HG22 ILE B 81 12.097 16.173 -4.260 1.00 62.43 H new ATOM 0 HG23 ILE B 81 12.983 17.205 -3.113 1.00 62.43 H new ATOM 0 HD11 ILE B 81 11.720 19.182 -0.127 1.00 1.24 H new ATOM 0 HD12 ILE B 81 12.836 18.396 -1.269 1.00 1.24 H new ATOM 0 HD13 ILE B 81 11.852 19.781 -1.798 1.00 1.24 H new ATOM 1407 N SER B 82 11.501 18.136 -6.344 1.00 2.42 N ATOM 1408 CA SER B 82 11.311 17.720 -7.713 1.00 41.31 C ATOM 1409 C SER B 82 11.338 16.196 -7.798 1.00 13.21 C ATOM 1410 O SER B 82 11.981 15.545 -6.979 1.00 35.13 O ATOM 1411 CB SER B 82 12.377 18.359 -8.607 1.00 43.33 C ATOM 1412 OG SER B 82 12.284 19.786 -8.557 1.00 71.34 O ATOM 0 H SER B 82 12.440 18.471 -6.130 1.00 2.42 H new ATOM 0 HA SER B 82 10.337 18.057 -8.069 1.00 41.31 H new ATOM 0 HB2 SER B 82 13.369 18.042 -8.284 1.00 43.33 H new ATOM 0 HB3 SER B 82 12.252 18.016 -9.634 1.00 43.33 H new ATOM 0 HG SER B 82 12.973 20.179 -9.132 1.00 71.34 H new ATOM 1418 N GLN B 83 10.696 15.644 -8.811 1.00 45.12 N ATOM 1419 CA GLN B 83 10.517 14.204 -8.926 1.00 65.34 C ATOM 1420 C GLN B 83 11.841 13.449 -9.081 1.00 13.44 C ATOM 1421 O GLN B 83 11.974 12.311 -8.629 1.00 12.11 O ATOM 1422 CB GLN B 83 9.420 13.821 -9.952 1.00 30.22 C ATOM 1423 CG GLN B 83 9.647 14.223 -11.409 1.00 4.43 C ATOM 1424 CD GLN B 83 10.422 13.194 -12.209 1.00 53.31 C ATOM 1425 OE1 GLN B 83 11.652 13.241 -12.313 1.00 72.33 O ATOM 1426 NE2 GLN B 83 9.714 12.250 -12.757 1.00 45.23 N ATOM 0 H GLN B 83 10.284 16.177 -9.577 1.00 45.12 H new ATOM 0 HA GLN B 83 10.126 13.855 -7.970 1.00 65.34 H new ATOM 0 HB2 GLN B 83 9.290 12.739 -9.918 1.00 30.22 H new ATOM 0 HB3 GLN B 83 8.481 14.266 -9.623 1.00 30.22 H new ATOM 0 HG2 GLN B 83 8.681 14.389 -11.886 1.00 4.43 H new ATOM 0 HG3 GLN B 83 10.184 15.171 -11.436 1.00 4.43 H new ATOM 0 HE21 GLN B 83 8.700 12.245 -12.649 1.00 45.23 H new ATOM 0 HE22 GLN B 83 10.173 11.515 -13.295 1.00 45.23 H new ATOM 1435 N SER B 84 12.830 14.103 -9.671 1.00 55.44 N ATOM 1436 CA SER B 84 14.152 13.533 -9.822 1.00 52.11 C ATOM 1437 C SER B 84 14.823 13.290 -8.452 1.00 62.21 C ATOM 1438 O SER B 84 15.561 12.308 -8.274 1.00 10.02 O ATOM 1439 CB SER B 84 14.991 14.450 -10.710 1.00 45.03 C ATOM 1440 OG SER B 84 14.799 15.816 -10.345 1.00 21.34 O ATOM 0 H SER B 84 12.735 15.042 -10.057 1.00 55.44 H new ATOM 0 HA SER B 84 14.070 12.557 -10.300 1.00 52.11 H new ATOM 0 HB2 SER B 84 16.045 14.188 -10.619 1.00 45.03 H new ATOM 0 HB3 SER B 84 14.716 14.305 -11.755 1.00 45.03 H new ATOM 0 HG SER B 84 15.345 16.389 -10.923 1.00 21.34 H new ATOM 1446 N GLU B 85 14.538 14.173 -7.488 1.00 50.43 N ATOM 1447 CA GLU B 85 15.046 14.031 -6.129 1.00 3.23 C ATOM 1448 C GLU B 85 14.474 12.758 -5.513 1.00 41.23 C ATOM 1449 O GLU B 85 15.190 11.977 -4.893 1.00 11.14 O ATOM 1450 CB GLU B 85 14.630 15.228 -5.265 1.00 33.34 C ATOM 1451 CG GLU B 85 14.979 16.598 -5.833 1.00 42.23 C ATOM 1452 CD GLU B 85 16.455 16.825 -5.989 1.00 44.10 C ATOM 1453 OE1 GLU B 85 17.103 17.289 -5.041 1.00 64.25 O ATOM 1454 OE2 GLU B 85 16.990 16.592 -7.077 1.00 70.32 O ATOM 0 H GLU B 85 13.954 14.997 -7.631 1.00 50.43 H new ATOM 0 HA GLU B 85 16.134 13.984 -6.167 1.00 3.23 H new ATOM 0 HB2 GLU B 85 13.552 15.183 -5.107 1.00 33.34 H new ATOM 0 HB3 GLU B 85 15.100 15.129 -4.287 1.00 33.34 H new ATOM 0 HG2 GLU B 85 14.497 16.713 -6.804 1.00 42.23 H new ATOM 0 HG3 GLU B 85 14.568 17.368 -5.180 1.00 42.23 H new ATOM 1461 N LEU B 86 13.172 12.541 -5.729 1.00 73.22 N ATOM 1462 CA LEU B 86 12.482 11.355 -5.216 1.00 10.22 C ATOM 1463 C LEU B 86 13.099 10.106 -5.787 1.00 65.33 C ATOM 1464 O LEU B 86 13.372 9.166 -5.057 1.00 30.50 O ATOM 1465 CB LEU B 86 10.966 11.355 -5.531 1.00 32.54 C ATOM 1466 CG LEU B 86 10.064 12.327 -4.772 1.00 41.02 C ATOM 1467 CD1 LEU B 86 10.377 13.761 -5.100 1.00 52.52 C ATOM 1468 CD2 LEU B 86 8.612 12.016 -5.069 1.00 23.21 C ATOM 0 H LEU B 86 12.574 13.175 -6.258 1.00 73.22 H new ATOM 0 HA LEU B 86 12.596 11.378 -4.132 1.00 10.22 H new ATOM 0 HB2 LEU B 86 10.849 11.556 -6.596 1.00 32.54 H new ATOM 0 HB3 LEU B 86 10.591 10.347 -5.354 1.00 32.54 H new ATOM 0 HG LEU B 86 10.252 12.196 -3.706 1.00 41.02 H new ATOM 0 HD11 LEU B 86 9.712 14.416 -4.538 1.00 52.52 H new ATOM 0 HD12 LEU B 86 11.411 13.978 -4.833 1.00 52.52 H new ATOM 0 HD13 LEU B 86 10.235 13.929 -6.168 1.00 52.52 H new ATOM 0 HD21 LEU B 86 7.972 12.712 -4.526 1.00 23.21 H new ATOM 0 HD22 LEU B 86 8.430 12.116 -6.139 1.00 23.21 H new ATOM 0 HD23 LEU B 86 8.387 10.996 -4.756 1.00 23.21 H new ATOM 1480 N ALA B 87 13.377 10.137 -7.085 1.00 4.44 N ATOM 1481 CA ALA B 87 13.961 9.004 -7.785 1.00 14.42 C ATOM 1482 C ALA B 87 15.297 8.616 -7.163 1.00 35.03 C ATOM 1483 O ALA B 87 15.568 7.427 -6.945 1.00 72.55 O ATOM 1484 CB ALA B 87 14.128 9.322 -9.258 1.00 1.41 C ATOM 0 H ALA B 87 13.204 10.948 -7.679 1.00 4.44 H new ATOM 0 HA ALA B 87 13.284 8.155 -7.690 1.00 14.42 H new ATOM 0 HB1 ALA B 87 14.566 8.464 -9.768 1.00 1.41 H new ATOM 0 HB2 ALA B 87 13.155 9.545 -9.695 1.00 1.41 H new ATOM 0 HB3 ALA B 87 14.783 10.185 -9.372 1.00 1.41 H new ATOM 1490 N ALA B 88 16.112 9.621 -6.842 1.00 4.14 N ATOM 1491 CA ALA B 88 17.401 9.406 -6.206 1.00 53.23 C ATOM 1492 C ALA B 88 17.241 8.733 -4.844 1.00 34.22 C ATOM 1493 O ALA B 88 17.951 7.782 -4.534 1.00 30.41 O ATOM 1494 CB ALA B 88 18.152 10.722 -6.063 1.00 24.13 C ATOM 0 H ALA B 88 15.893 10.602 -7.017 1.00 4.14 H new ATOM 0 HA ALA B 88 17.981 8.740 -6.844 1.00 53.23 H new ATOM 0 HB1 ALA B 88 19.115 10.541 -5.585 1.00 24.13 H new ATOM 0 HB2 ALA B 88 18.313 11.158 -7.049 1.00 24.13 H new ATOM 0 HB3 ALA B 88 17.567 11.410 -5.453 1.00 24.13 H new ATOM 1500 N LEU B 89 16.291 9.211 -4.042 1.00 71.12 N ATOM 1501 CA LEU B 89 16.030 8.621 -2.715 1.00 42.20 C ATOM 1502 C LEU B 89 15.481 7.213 -2.813 1.00 63.22 C ATOM 1503 O LEU B 89 15.756 6.368 -1.959 1.00 30.24 O ATOM 1504 CB LEU B 89 15.089 9.475 -1.845 1.00 60.54 C ATOM 1505 CG LEU B 89 15.710 10.632 -1.046 1.00 63.34 C ATOM 1506 CD1 LEU B 89 16.265 11.705 -1.934 1.00 60.14 C ATOM 1507 CD2 LEU B 89 14.694 11.214 -0.100 1.00 50.33 C ATOM 0 H LEU B 89 15.689 10.000 -4.279 1.00 71.12 H new ATOM 0 HA LEU B 89 17.004 8.591 -2.227 1.00 42.20 H new ATOM 0 HB2 LEU B 89 14.318 9.891 -2.493 1.00 60.54 H new ATOM 0 HB3 LEU B 89 14.589 8.811 -1.140 1.00 60.54 H new ATOM 0 HG LEU B 89 16.544 10.221 -0.477 1.00 63.34 H new ATOM 0 HD11 LEU B 89 16.692 12.499 -1.322 1.00 60.14 H new ATOM 0 HD12 LEU B 89 17.040 11.283 -2.574 1.00 60.14 H new ATOM 0 HD13 LEU B 89 15.467 12.114 -2.553 1.00 60.14 H new ATOM 0 HD21 LEU B 89 15.146 12.033 0.460 1.00 50.33 H new ATOM 0 HD22 LEU B 89 13.842 11.589 -0.667 1.00 50.33 H new ATOM 0 HD23 LEU B 89 14.358 10.442 0.593 1.00 50.33 H new ATOM 1519 N LEU B 90 14.725 6.951 -3.852 1.00 61.11 N ATOM 1520 CA LEU B 90 14.125 5.641 -4.041 1.00 33.50 C ATOM 1521 C LEU B 90 15.102 4.683 -4.723 1.00 13.04 C ATOM 1522 O LEU B 90 14.774 3.521 -4.938 1.00 54.12 O ATOM 1523 CB LEU B 90 12.862 5.753 -4.902 1.00 1.13 C ATOM 1524 CG LEU B 90 11.790 6.743 -4.451 1.00 1.25 C ATOM 1525 CD1 LEU B 90 10.612 6.718 -5.402 1.00 24.05 C ATOM 1526 CD2 LEU B 90 11.348 6.476 -3.032 1.00 43.42 C ATOM 0 H LEU B 90 14.507 7.626 -4.585 1.00 61.11 H new ATOM 0 HA LEU B 90 13.869 5.251 -3.056 1.00 33.50 H new ATOM 0 HB2 LEU B 90 13.166 6.023 -5.913 1.00 1.13 H new ATOM 0 HB3 LEU B 90 12.405 4.765 -4.960 1.00 1.13 H new ATOM 0 HG LEU B 90 12.227 7.741 -4.470 1.00 1.25 H new ATOM 0 HD11 LEU B 90 9.858 7.429 -5.066 1.00 24.05 H new ATOM 0 HD12 LEU B 90 10.947 6.990 -6.403 1.00 24.05 H new ATOM 0 HD13 LEU B 90 10.182 5.716 -5.423 1.00 24.05 H new ATOM 0 HD21 LEU B 90 10.585 7.200 -2.746 1.00 43.42 H new ATOM 0 HD22 LEU B 90 10.937 5.469 -2.962 1.00 43.42 H new ATOM 0 HD23 LEU B 90 12.203 6.566 -2.362 1.00 43.42 H new ATOM 1538 N GLU B 91 16.299 5.184 -5.057 1.00 45.33 N ATOM 1539 CA GLU B 91 17.360 4.407 -5.725 1.00 22.43 C ATOM 1540 C GLU B 91 16.903 3.924 -7.102 1.00 63.31 C ATOM 1541 O GLU B 91 17.368 2.893 -7.599 1.00 72.53 O ATOM 1542 CB GLU B 91 17.808 3.199 -4.877 1.00 34.10 C ATOM 1543 CG GLU B 91 18.347 3.535 -3.497 1.00 74.02 C ATOM 1544 CD GLU B 91 19.521 4.488 -3.515 1.00 63.23 C ATOM 1545 OE1 GLU B 91 20.380 4.415 -4.437 1.00 54.24 O ATOM 1546 OE2 GLU B 91 19.623 5.327 -2.589 1.00 73.13 O ATOM 0 H GLU B 91 16.564 6.151 -4.870 1.00 45.33 H new ATOM 0 HA GLU B 91 18.212 5.077 -5.845 1.00 22.43 H new ATOM 0 HB2 GLU B 91 16.961 2.523 -4.763 1.00 34.10 H new ATOM 0 HB3 GLU B 91 18.577 2.656 -5.427 1.00 34.10 H new ATOM 0 HG2 GLU B 91 17.546 3.972 -2.901 1.00 74.02 H new ATOM 0 HG3 GLU B 91 18.648 2.613 -3.000 1.00 74.02 H new ATOM 1553 N VAL B 92 16.059 4.691 -7.744 1.00 33.53 N ATOM 1554 CA VAL B 92 15.514 4.312 -9.029 1.00 2.41 C ATOM 1555 C VAL B 92 15.767 5.420 -10.020 1.00 32.32 C ATOM 1556 O VAL B 92 16.300 6.476 -9.655 1.00 23.34 O ATOM 1557 CB VAL B 92 13.983 3.998 -8.970 1.00 63.23 C ATOM 1558 CG1 VAL B 92 13.691 2.803 -8.074 1.00 12.32 C ATOM 1559 CG2 VAL B 92 13.184 5.216 -8.521 1.00 4.10 C ATOM 0 H VAL B 92 15.730 5.591 -7.396 1.00 33.53 H new ATOM 0 HA VAL B 92 16.014 3.395 -9.339 1.00 2.41 H new ATOM 0 HB VAL B 92 13.669 3.741 -9.982 1.00 63.23 H new ATOM 0 HG11 VAL B 92 12.618 2.614 -8.057 1.00 12.32 H new ATOM 0 HG12 VAL B 92 14.208 1.924 -8.460 1.00 12.32 H new ATOM 0 HG13 VAL B 92 14.038 3.013 -7.062 1.00 12.32 H new ATOM 0 HG21 VAL B 92 12.124 4.965 -8.490 1.00 4.10 H new ATOM 0 HG22 VAL B 92 13.513 5.521 -7.528 1.00 4.10 H new ATOM 0 HG23 VAL B 92 13.343 6.034 -9.223 1.00 4.10 H new ATOM 1569 N SER B 93 15.418 5.194 -11.243 1.00 35.42 N ATOM 1570 CA SER B 93 15.570 6.186 -12.254 1.00 0.14 C ATOM 1571 C SER B 93 14.313 7.075 -12.283 1.00 54.44 C ATOM 1572 O SER B 93 13.264 6.711 -11.709 1.00 24.14 O ATOM 1573 CB SER B 93 15.801 5.500 -13.590 1.00 23.34 C ATOM 1574 OG SER B 93 16.901 4.588 -13.502 1.00 1.11 O ATOM 0 H SER B 93 15.019 4.314 -11.570 1.00 35.42 H new ATOM 0 HA SER B 93 16.430 6.822 -12.044 1.00 0.14 H new ATOM 0 HB2 SER B 93 14.900 4.965 -13.891 1.00 23.34 H new ATOM 0 HB3 SER B 93 16.000 6.246 -14.359 1.00 23.34 H new ATOM 0 HG SER B 93 17.036 4.153 -14.370 1.00 1.11 H new ATOM 1580 N ARG B 94 14.409 8.220 -12.941 1.00 33.45 N ATOM 1581 CA ARG B 94 13.311 9.184 -13.002 1.00 2.32 C ATOM 1582 C ARG B 94 12.081 8.595 -13.654 1.00 72.10 C ATOM 1583 O ARG B 94 10.966 8.904 -13.262 1.00 61.25 O ATOM 1584 CB ARG B 94 13.719 10.446 -13.742 1.00 73.14 C ATOM 1585 CG ARG B 94 14.869 11.193 -13.112 1.00 54.32 C ATOM 1586 CD ARG B 94 15.139 12.477 -13.855 1.00 53.33 C ATOM 1587 NE ARG B 94 13.989 13.383 -13.801 1.00 21.14 N ATOM 1588 CZ ARG B 94 13.917 14.585 -14.374 1.00 13.43 C ATOM 1589 NH1 ARG B 94 14.870 15.004 -15.201 1.00 20.31 N ATOM 1590 NH2 ARG B 94 12.856 15.344 -14.143 1.00 44.34 N ATOM 0 H ARG B 94 15.245 8.510 -13.447 1.00 33.45 H new ATOM 0 HA ARG B 94 13.069 9.440 -11.971 1.00 2.32 H new ATOM 0 HB2 ARG B 94 13.990 10.182 -14.764 1.00 73.14 H new ATOM 0 HB3 ARG B 94 12.858 11.112 -13.802 1.00 73.14 H new ATOM 0 HG2 ARG B 94 14.640 11.411 -12.069 1.00 54.32 H new ATOM 0 HG3 ARG B 94 15.762 10.568 -13.118 1.00 54.32 H new ATOM 0 HD2 ARG B 94 16.012 12.970 -13.426 1.00 53.33 H new ATOM 0 HD3 ARG B 94 15.378 12.253 -14.895 1.00 53.33 H new ATOM 0 HE ARG B 94 13.172 13.067 -13.279 1.00 21.14 H new ATOM 0 HH11 ARG B 94 15.669 14.404 -15.404 1.00 20.31 H new ATOM 0 HH12 ARG B 94 14.802 15.926 -15.632 1.00 20.31 H new ATOM 0 HH21 ARG B 94 12.110 15.006 -13.535 1.00 44.34 H new ATOM 0 HH22 ARG B 94 12.785 16.266 -14.573 1.00 44.34 H new ATOM 1604 N GLN B 95 12.291 7.727 -14.625 1.00 63.51 N ATOM 1605 CA GLN B 95 11.203 7.089 -15.338 1.00 73.10 C ATOM 1606 C GLN B 95 10.333 6.246 -14.395 1.00 21.43 C ATOM 1607 O GLN B 95 9.130 6.101 -14.619 1.00 63.01 O ATOM 1608 CB GLN B 95 11.732 6.240 -16.505 1.00 14.11 C ATOM 1609 CG GLN B 95 10.643 5.638 -17.388 1.00 34.33 C ATOM 1610 CD GLN B 95 9.745 6.697 -18.005 1.00 13.43 C ATOM 1611 OE1 GLN B 95 10.005 7.198 -19.094 1.00 35.21 O ATOM 1612 NE2 GLN B 95 8.687 7.036 -17.319 1.00 24.53 N ATOM 0 H GLN B 95 13.219 7.445 -14.941 1.00 63.51 H new ATOM 0 HA GLN B 95 10.573 7.877 -15.752 1.00 73.10 H new ATOM 0 HB2 GLN B 95 12.384 6.858 -17.123 1.00 14.11 H new ATOM 0 HB3 GLN B 95 12.345 5.433 -16.103 1.00 14.11 H new ATOM 0 HG2 GLN B 95 11.106 5.051 -18.181 1.00 34.33 H new ATOM 0 HG3 GLN B 95 10.037 4.952 -16.796 1.00 34.33 H new ATOM 0 HE21 GLN B 95 8.502 6.598 -16.416 1.00 24.53 H new ATOM 0 HE22 GLN B 95 8.045 7.739 -17.686 1.00 24.53 H new ATOM 1621 N THR B 96 10.925 5.733 -13.335 1.00 21.22 N ATOM 1622 CA THR B 96 10.199 4.921 -12.395 1.00 0.23 C ATOM 1623 C THR B 96 9.198 5.789 -11.612 1.00 24.14 C ATOM 1624 O THR B 96 8.004 5.490 -11.581 1.00 5.35 O ATOM 1625 CB THR B 96 11.176 4.247 -11.423 1.00 71.41 C ATOM 1626 OG1 THR B 96 12.246 3.663 -12.180 1.00 40.00 O ATOM 1627 CG2 THR B 96 10.478 3.155 -10.620 1.00 50.43 C ATOM 0 H THR B 96 11.910 5.868 -13.108 1.00 21.22 H new ATOM 0 HA THR B 96 9.651 4.152 -12.940 1.00 0.23 H new ATOM 0 HB THR B 96 11.558 4.995 -10.729 1.00 71.41 H new ATOM 0 HG1 THR B 96 12.945 4.333 -12.329 1.00 40.00 H new ATOM 0 HG21 THR B 96 11.192 2.692 -9.938 1.00 50.43 H new ATOM 0 HG22 THR B 96 9.659 3.591 -10.047 1.00 50.43 H new ATOM 0 HG23 THR B 96 10.083 2.400 -11.300 1.00 50.43 H new ATOM 1635 N ILE B 97 9.681 6.894 -11.036 1.00 3.24 N ATOM 1636 CA ILE B 97 8.807 7.792 -10.285 1.00 15.23 C ATOM 1637 C ILE B 97 7.816 8.491 -11.229 1.00 54.43 C ATOM 1638 O ILE B 97 6.650 8.675 -10.890 1.00 12.25 O ATOM 1639 CB ILE B 97 9.606 8.828 -9.401 1.00 61.33 C ATOM 1640 CG1 ILE B 97 8.665 9.714 -8.565 1.00 13.20 C ATOM 1641 CG2 ILE B 97 10.542 9.687 -10.231 1.00 12.10 C ATOM 1642 CD1 ILE B 97 7.829 8.950 -7.556 1.00 15.23 C ATOM 0 H ILE B 97 10.658 7.183 -11.075 1.00 3.24 H new ATOM 0 HA ILE B 97 8.240 7.180 -9.584 1.00 15.23 H new ATOM 0 HB ILE B 97 10.214 8.238 -8.716 1.00 61.33 H new ATOM 0 HG12 ILE B 97 9.259 10.460 -8.038 1.00 13.20 H new ATOM 0 HG13 ILE B 97 7.999 10.254 -9.238 1.00 13.20 H new ATOM 0 HG21 ILE B 97 11.070 10.384 -9.580 1.00 12.10 H new ATOM 0 HG22 ILE B 97 11.264 9.050 -10.741 1.00 12.10 H new ATOM 0 HG23 ILE B 97 9.965 10.245 -10.969 1.00 12.10 H new ATOM 0 HD11 ILE B 97 7.194 9.646 -7.008 1.00 15.23 H new ATOM 0 HD12 ILE B 97 7.206 8.222 -8.076 1.00 15.23 H new ATOM 0 HD13 ILE B 97 8.486 8.432 -6.857 1.00 15.23 H new ATOM 1654 N ASN B 98 8.276 8.797 -12.433 1.00 30.33 N ATOM 1655 CA ASN B 98 7.450 9.424 -13.464 1.00 60.42 C ATOM 1656 C ASN B 98 6.325 8.498 -13.882 1.00 3.24 C ATOM 1657 O ASN B 98 5.181 8.924 -14.058 1.00 13.11 O ATOM 1658 CB ASN B 98 8.313 9.789 -14.667 1.00 64.50 C ATOM 1659 CG ASN B 98 7.535 10.315 -15.853 1.00 24.43 C ATOM 1660 OD1 ASN B 98 7.153 9.559 -16.747 1.00 33.15 O ATOM 1661 ND2 ASN B 98 7.280 11.587 -15.873 1.00 74.02 N ATOM 0 H ASN B 98 9.236 8.618 -12.727 1.00 30.33 H new ATOM 0 HA ASN B 98 7.009 10.333 -13.056 1.00 60.42 H new ATOM 0 HB2 ASN B 98 9.041 10.541 -14.363 1.00 64.50 H new ATOM 0 HB3 ASN B 98 8.875 8.908 -14.977 1.00 64.50 H new ATOM 0 HD21 ASN B 98 6.748 11.988 -16.645 1.00 74.02 H new ATOM 0 HD22 ASN B 98 7.611 12.185 -15.116 1.00 74.02 H new ATOM 1668 N GLY B 99 6.646 7.224 -13.996 1.00 32.15 N ATOM 1669 CA GLY B 99 5.661 6.233 -14.337 1.00 62.40 C ATOM 1670 C GLY B 99 4.610 6.110 -13.258 1.00 51.22 C ATOM 1671 O GLY B 99 3.437 5.804 -13.540 1.00 73.51 O ATOM 0 H GLY B 99 7.587 6.856 -13.856 1.00 32.15 H new ATOM 0 HA2 GLY B 99 5.186 6.499 -15.281 1.00 62.40 H new ATOM 0 HA3 GLY B 99 6.148 5.269 -14.485 1.00 62.40 H new ATOM 1675 N ILE B 100 5.024 6.322 -12.017 1.00 55.13 N ATOM 1676 CA ILE B 100 4.116 6.328 -10.891 1.00 14.23 C ATOM 1677 C ILE B 100 3.253 7.592 -10.938 1.00 12.31 C ATOM 1678 O ILE B 100 2.043 7.527 -10.716 1.00 62.21 O ATOM 1679 CB ILE B 100 4.874 6.241 -9.527 1.00 13.40 C ATOM 1680 CG1 ILE B 100 5.729 4.959 -9.446 1.00 21.05 C ATOM 1681 CG2 ILE B 100 3.909 6.311 -8.344 1.00 62.42 C ATOM 1682 CD1 ILE B 100 4.950 3.664 -9.617 1.00 51.13 C ATOM 0 H ILE B 100 5.998 6.494 -11.768 1.00 55.13 H new ATOM 0 HA ILE B 100 3.482 5.444 -10.964 1.00 14.23 H new ATOM 0 HB ILE B 100 5.539 7.103 -9.472 1.00 13.40 H new ATOM 0 HG12 ILE B 100 6.503 5.006 -10.212 1.00 21.05 H new ATOM 0 HG13 ILE B 100 6.236 4.937 -8.482 1.00 21.05 H new ATOM 0 HG21 ILE B 100 4.471 6.248 -7.412 1.00 62.42 H new ATOM 0 HG22 ILE B 100 3.363 7.254 -8.375 1.00 62.42 H new ATOM 0 HG23 ILE B 100 3.204 5.481 -8.400 1.00 62.42 H new ATOM 0 HD11 ILE B 100 5.632 2.817 -9.545 1.00 51.13 H new ATOM 0 HD12 ILE B 100 4.194 3.588 -8.835 1.00 51.13 H new ATOM 0 HD13 ILE B 100 4.465 3.658 -10.593 1.00 51.13 H new ATOM 1694 N GLU B 101 3.874 8.734 -11.271 1.00 42.35 N ATOM 1695 CA GLU B 101 3.156 10.015 -11.400 1.00 14.13 C ATOM 1696 C GLU B 101 2.057 9.916 -12.437 1.00 62.12 C ATOM 1697 O GLU B 101 0.996 10.489 -12.281 1.00 33.44 O ATOM 1698 CB GLU B 101 4.085 11.140 -11.864 1.00 72.22 C ATOM 1699 CG GLU B 101 5.214 11.527 -10.941 1.00 22.14 C ATOM 1700 CD GLU B 101 5.987 12.686 -11.523 1.00 2.35 C ATOM 1701 OE1 GLU B 101 5.549 13.853 -11.343 1.00 12.42 O ATOM 1702 OE2 GLU B 101 7.003 12.465 -12.217 1.00 14.03 O ATOM 0 H GLU B 101 4.875 8.798 -11.457 1.00 42.35 H new ATOM 0 HA GLU B 101 2.752 10.234 -10.412 1.00 14.13 H new ATOM 0 HB2 GLU B 101 4.516 10.848 -12.822 1.00 72.22 H new ATOM 0 HB3 GLU B 101 3.477 12.027 -12.045 1.00 72.22 H new ATOM 0 HG2 GLU B 101 4.817 11.799 -9.963 1.00 22.14 H new ATOM 0 HG3 GLU B 101 5.878 10.676 -10.790 1.00 22.14 H new ATOM 1709 N LYS B 102 2.303 9.172 -13.480 1.00 72.42 N ATOM 1710 CA LYS B 102 1.326 9.041 -14.536 1.00 3.42 C ATOM 1711 C LYS B 102 0.471 7.791 -14.317 1.00 64.33 C ATOM 1712 O LYS B 102 -0.343 7.442 -15.167 1.00 74.05 O ATOM 1713 CB LYS B 102 2.017 8.977 -15.915 1.00 71.34 C ATOM 1714 CG LYS B 102 3.045 10.088 -16.178 1.00 73.40 C ATOM 1715 CD LYS B 102 2.490 11.470 -15.873 1.00 3.32 C ATOM 1716 CE LYS B 102 3.491 12.572 -16.194 1.00 11.20 C ATOM 1717 NZ LYS B 102 3.735 12.694 -17.648 1.00 30.21 N ATOM 0 H LYS B 102 3.166 8.648 -13.625 1.00 72.42 H new ATOM 0 HA LYS B 102 0.680 9.919 -14.514 1.00 3.42 H new ATOM 0 HB2 LYS B 102 2.515 8.012 -16.011 1.00 71.34 H new ATOM 0 HB3 LYS B 102 1.252 9.019 -16.690 1.00 71.34 H new ATOM 0 HG2 LYS B 102 3.931 9.912 -15.568 1.00 73.40 H new ATOM 0 HG3 LYS B 102 3.362 10.048 -17.220 1.00 73.40 H new ATOM 0 HD2 LYS B 102 1.578 11.630 -16.449 1.00 3.32 H new ATOM 0 HD3 LYS B 102 2.215 11.526 -14.820 1.00 3.32 H new ATOM 0 HE2 LYS B 102 3.121 13.522 -15.808 1.00 11.20 H new ATOM 0 HE3 LYS B 102 4.432 12.366 -15.685 1.00 11.20 H new ATOM 0 HZ1 LYS B 102 4.299 13.547 -17.835 1.00 30.21 H new ATOM 0 HZ2 LYS B 102 4.252 11.857 -17.985 1.00 30.21 H new ATOM 0 HZ3 LYS B 102 2.826 12.764 -18.148 1.00 30.21 H new ATOM 1731 N ASN B 103 0.684 7.133 -13.156 1.00 21.34 N ATOM 1732 CA ASN B 103 0.028 5.856 -12.728 1.00 41.10 C ATOM 1733 C ASN B 103 0.039 4.800 -13.835 1.00 30.41 C ATOM 1734 O ASN B 103 -0.730 3.850 -13.816 1.00 2.25 O ATOM 1735 CB ASN B 103 -1.422 6.047 -12.150 1.00 42.23 C ATOM 1736 CG ASN B 103 -2.502 6.441 -13.168 1.00 63.02 C ATOM 1737 OD1 ASN B 103 -3.084 5.584 -13.839 1.00 64.43 O ATOM 1738 ND2 ASN B 103 -2.848 7.700 -13.219 1.00 15.22 N ATOM 0 H ASN B 103 1.341 7.482 -12.458 1.00 21.34 H new ATOM 0 HA ASN B 103 0.641 5.492 -11.904 1.00 41.10 H new ATOM 0 HB2 ASN B 103 -1.726 5.118 -11.668 1.00 42.23 H new ATOM 0 HB3 ASN B 103 -1.385 6.811 -11.374 1.00 42.23 H new ATOM 0 HD21 ASN B 103 -3.615 7.994 -13.823 1.00 15.22 H new ATOM 0 HD22 ASN B 103 -2.351 8.389 -12.654 1.00 15.22 H new ATOM 1745 N LYS B 104 1.023 4.878 -14.694 1.00 23.05 N ATOM 1746 CA LYS B 104 1.046 4.079 -15.890 1.00 71.21 C ATOM 1747 C LYS B 104 2.023 2.931 -15.712 1.00 63.12 C ATOM 1748 O LYS B 104 1.950 1.907 -16.402 1.00 54.40 O ATOM 1749 CB LYS B 104 1.413 4.992 -17.073 1.00 54.41 C ATOM 1750 CG LYS B 104 1.357 4.359 -18.450 1.00 51.33 C ATOM 1751 CD LYS B 104 1.448 5.437 -19.518 1.00 14.11 C ATOM 1752 CE LYS B 104 1.414 4.863 -20.919 1.00 53.22 C ATOM 1753 NZ LYS B 104 1.248 5.921 -21.932 1.00 30.43 N ATOM 0 H LYS B 104 1.828 5.495 -14.584 1.00 23.05 H new ATOM 0 HA LYS B 104 0.070 3.637 -16.093 1.00 71.21 H new ATOM 0 HB2 LYS B 104 0.742 5.851 -17.063 1.00 54.41 H new ATOM 0 HB3 LYS B 104 2.421 5.373 -16.912 1.00 54.41 H new ATOM 0 HG2 LYS B 104 2.175 3.649 -18.567 1.00 51.33 H new ATOM 0 HG3 LYS B 104 0.429 3.798 -18.565 1.00 51.33 H new ATOM 0 HD2 LYS B 104 0.622 6.138 -19.395 1.00 14.11 H new ATOM 0 HD3 LYS B 104 2.370 6.003 -19.382 1.00 14.11 H new ATOM 0 HE2 LYS B 104 2.336 4.315 -21.111 1.00 53.22 H new ATOM 0 HE3 LYS B 104 0.595 4.148 -21.001 1.00 53.22 H new ATOM 0 HZ1 LYS B 104 1.229 5.494 -22.880 1.00 30.43 H new ATOM 0 HZ2 LYS B 104 0.356 6.427 -21.762 1.00 30.43 H new ATOM 0 HZ3 LYS B 104 2.042 6.589 -21.869 1.00 30.43 H new ATOM 1767 N TYR B 105 2.907 3.091 -14.744 1.00 74.05 N ATOM 1768 CA TYR B 105 3.911 2.091 -14.420 1.00 12.53 C ATOM 1769 C TYR B 105 3.309 1.062 -13.471 1.00 13.41 C ATOM 1770 O TYR B 105 3.898 0.006 -13.229 1.00 2.12 O ATOM 1771 CB TYR B 105 5.088 2.798 -13.744 1.00 73.50 C ATOM 1772 CG TYR B 105 6.361 2.008 -13.653 1.00 32.23 C ATOM 1773 CD1 TYR B 105 7.114 1.791 -14.784 1.00 62.14 C ATOM 1774 CD2 TYR B 105 6.828 1.510 -12.443 1.00 33.20 C ATOM 1775 CE1 TYR B 105 8.297 1.099 -14.730 1.00 3.04 C ATOM 1776 CE2 TYR B 105 8.016 0.806 -12.378 1.00 1.32 C ATOM 1777 CZ TYR B 105 8.745 0.604 -13.529 1.00 33.11 C ATOM 1778 OH TYR B 105 9.953 -0.069 -13.483 1.00 24.32 O ATOM 0 H TYR B 105 2.950 3.923 -14.156 1.00 74.05 H new ATOM 0 HA TYR B 105 4.250 1.582 -15.322 1.00 12.53 H new ATOM 0 HB2 TYR B 105 5.293 3.721 -14.287 1.00 73.50 H new ATOM 0 HB3 TYR B 105 4.786 3.082 -12.736 1.00 73.50 H new ATOM 0 HD1 TYR B 105 6.767 2.173 -15.733 1.00 62.14 H new ATOM 0 HD2 TYR B 105 6.256 1.675 -11.542 1.00 33.20 H new ATOM 0 HE1 TYR B 105 8.875 0.944 -15.629 1.00 3.04 H new ATOM 0 HE2 TYR B 105 8.369 0.418 -11.434 1.00 1.32 H new ATOM 0 HH TYR B 105 10.132 -0.357 -12.564 1.00 24.32 H new ATOM 1788 N ASN B 106 2.112 1.390 -12.965 1.00 43.42 N ATOM 1789 CA ASN B 106 1.371 0.594 -11.975 1.00 41.25 C ATOM 1790 C ASN B 106 2.121 0.561 -10.648 1.00 40.41 C ATOM 1791 O ASN B 106 3.117 -0.149 -10.504 1.00 21.44 O ATOM 1792 CB ASN B 106 1.063 -0.828 -12.466 1.00 44.44 C ATOM 1793 CG ASN B 106 0.161 -1.596 -11.512 1.00 2.30 C ATOM 1794 OD1 ASN B 106 -1.060 -1.527 -11.623 1.00 64.13 O ATOM 1795 ND2 ASN B 106 0.729 -2.345 -10.606 1.00 53.45 N ATOM 0 H ASN B 106 1.619 2.239 -13.240 1.00 43.42 H new ATOM 0 HA ASN B 106 0.409 1.085 -11.827 1.00 41.25 H new ATOM 0 HB2 ASN B 106 0.588 -0.775 -13.445 1.00 44.44 H new ATOM 0 HB3 ASN B 106 1.998 -1.374 -12.595 1.00 44.44 H new ATOM 0 HD21 ASN B 106 0.156 -2.894 -9.965 1.00 53.45 H new ATOM 0 HD22 ASN B 106 1.746 -2.381 -10.539 1.00 53.45 H new ATOM 1802 N PRO B 107 1.667 1.350 -9.671 1.00 2.41 N ATOM 1803 CA PRO B 107 2.329 1.454 -8.379 1.00 33.40 C ATOM 1804 C PRO B 107 2.260 0.161 -7.569 1.00 61.13 C ATOM 1805 O PRO B 107 1.188 -0.224 -7.067 1.00 2.50 O ATOM 1806 CB PRO B 107 1.574 2.586 -7.655 1.00 23.24 C ATOM 1807 CG PRO B 107 0.748 3.246 -8.712 1.00 52.51 C ATOM 1808 CD PRO B 107 0.462 2.188 -9.731 1.00 12.41 C ATOM 0 HA PRO B 107 3.394 1.652 -8.500 1.00 33.40 H new ATOM 0 HB2 PRO B 107 0.948 2.192 -6.855 1.00 23.24 H new ATOM 0 HB3 PRO B 107 2.267 3.293 -7.199 1.00 23.24 H new ATOM 0 HG2 PRO B 107 -0.176 3.645 -8.293 1.00 52.51 H new ATOM 0 HG3 PRO B 107 1.283 4.084 -9.159 1.00 52.51 H new ATOM 0 HD2 PRO B 107 -0.437 1.623 -9.487 1.00 12.41 H new ATOM 0 HD3 PRO B 107 0.312 2.612 -10.724 1.00 12.41 H new ATOM 1816 N SER B 108 3.378 -0.529 -7.507 1.00 32.11 N ATOM 1817 CA SER B 108 3.520 -1.705 -6.689 1.00 31.54 C ATOM 1818 C SER B 108 3.579 -1.258 -5.228 1.00 35.33 C ATOM 1819 O SER B 108 3.862 -0.078 -4.956 1.00 31.14 O ATOM 1820 CB SER B 108 4.815 -2.399 -7.070 1.00 33.24 C ATOM 1821 OG SER B 108 4.922 -2.511 -8.482 1.00 63.24 O ATOM 0 H SER B 108 4.219 -0.284 -8.029 1.00 32.11 H new ATOM 0 HA SER B 108 2.685 -2.391 -6.832 1.00 31.54 H new ATOM 0 HB2 SER B 108 5.664 -1.839 -6.678 1.00 33.24 H new ATOM 0 HB3 SER B 108 4.851 -3.390 -6.617 1.00 33.24 H new ATOM 0 HG SER B 108 5.763 -2.959 -8.712 1.00 63.24 H new ATOM 1827 N LEU B 109 3.349 -2.157 -4.299 1.00 41.22 N ATOM 1828 CA LEU B 109 3.316 -1.768 -2.908 1.00 3.42 C ATOM 1829 C LEU B 109 4.704 -1.377 -2.399 1.00 71.35 C ATOM 1830 O LEU B 109 4.828 -0.394 -1.696 1.00 31.14 O ATOM 1831 CB LEU B 109 2.598 -2.828 -2.021 1.00 34.44 C ATOM 1832 CG LEU B 109 2.298 -2.454 -0.530 1.00 23.40 C ATOM 1833 CD1 LEU B 109 3.530 -2.598 0.361 1.00 22.03 C ATOM 1834 CD2 LEU B 109 1.733 -1.022 -0.429 1.00 44.53 C ATOM 0 H LEU B 109 3.184 -3.148 -4.476 1.00 41.22 H new ATOM 0 HA LEU B 109 2.707 -0.867 -2.830 1.00 3.42 H new ATOM 0 HB2 LEU B 109 1.651 -3.079 -2.500 1.00 34.44 H new ATOM 0 HB3 LEU B 109 3.206 -3.733 -2.023 1.00 34.44 H new ATOM 0 HG LEU B 109 1.549 -3.159 -0.171 1.00 23.40 H new ATOM 0 HD11 LEU B 109 3.272 -2.328 1.385 1.00 22.03 H new ATOM 0 HD12 LEU B 109 3.879 -3.630 0.335 1.00 22.03 H new ATOM 0 HD13 LEU B 109 4.319 -1.939 -0.000 1.00 22.03 H new ATOM 0 HD21 LEU B 109 1.532 -0.783 0.615 1.00 44.53 H new ATOM 0 HD22 LEU B 109 2.460 -0.315 -0.829 1.00 44.53 H new ATOM 0 HD23 LEU B 109 0.808 -0.955 -1.001 1.00 44.53 H new ATOM 1846 N GLN B 110 5.743 -2.119 -2.756 1.00 2.30 N ATOM 1847 CA GLN B 110 7.101 -1.769 -2.336 1.00 25.44 C ATOM 1848 C GLN B 110 7.495 -0.388 -2.879 1.00 14.52 C ATOM 1849 O GLN B 110 8.095 0.429 -2.160 1.00 12.34 O ATOM 1850 CB GLN B 110 8.088 -2.825 -2.820 1.00 43.20 C ATOM 1851 CG GLN B 110 9.504 -2.643 -2.319 1.00 23.12 C ATOM 1852 CD GLN B 110 9.639 -2.870 -0.829 1.00 1.11 C ATOM 1853 OE1 GLN B 110 10.489 -2.263 -0.164 1.00 21.35 O ATOM 1854 NE2 GLN B 110 8.855 -3.775 -0.294 1.00 45.30 N ATOM 0 H GLN B 110 5.678 -2.960 -3.330 1.00 2.30 H new ATOM 0 HA GLN B 110 7.128 -1.732 -1.247 1.00 25.44 H new ATOM 0 HB2 GLN B 110 7.730 -3.807 -2.509 1.00 43.20 H new ATOM 0 HB3 GLN B 110 8.099 -2.820 -3.910 1.00 43.20 H new ATOM 0 HG2 GLN B 110 10.162 -3.334 -2.847 1.00 23.12 H new ATOM 0 HG3 GLN B 110 9.842 -1.635 -2.559 1.00 23.12 H new ATOM 0 HE21 GLN B 110 8.165 -4.257 -0.870 1.00 45.30 H new ATOM 0 HE22 GLN B 110 8.935 -3.997 0.698 1.00 45.30 H new ATOM 1863 N LEU B 111 7.160 -0.141 -4.146 1.00 33.52 N ATOM 1864 CA LEU B 111 7.369 1.168 -4.770 1.00 33.42 C ATOM 1865 C LEU B 111 6.632 2.247 -3.988 1.00 12.12 C ATOM 1866 O LEU B 111 7.191 3.289 -3.680 1.00 53.21 O ATOM 1867 CB LEU B 111 6.886 1.176 -6.231 1.00 75.22 C ATOM 1868 CG LEU B 111 7.642 0.278 -7.212 1.00 12.11 C ATOM 1869 CD1 LEU B 111 7.012 0.358 -8.592 1.00 72.44 C ATOM 1870 CD2 LEU B 111 9.106 0.679 -7.283 1.00 1.23 C ATOM 0 H LEU B 111 6.740 -0.835 -4.764 1.00 33.52 H new ATOM 0 HA LEU B 111 8.440 1.373 -4.759 1.00 33.42 H new ATOM 0 HB2 LEU B 111 5.836 0.884 -6.243 1.00 75.22 H new ATOM 0 HB3 LEU B 111 6.936 2.200 -6.600 1.00 75.22 H new ATOM 0 HG LEU B 111 7.580 -0.750 -6.855 1.00 12.11 H new ATOM 0 HD11 LEU B 111 7.560 -0.286 -9.280 1.00 72.44 H new ATOM 0 HD12 LEU B 111 5.974 0.031 -8.538 1.00 72.44 H new ATOM 0 HD13 LEU B 111 7.050 1.387 -8.950 1.00 72.44 H new ATOM 0 HD21 LEU B 111 9.628 0.029 -7.986 1.00 1.23 H new ATOM 0 HD22 LEU B 111 9.184 1.713 -7.618 1.00 1.23 H new ATOM 0 HD23 LEU B 111 9.558 0.583 -6.296 1.00 1.23 H new ATOM 1882 N ALA B 112 5.402 1.948 -3.621 1.00 72.35 N ATOM 1883 CA ALA B 112 4.560 2.873 -2.884 1.00 41.10 C ATOM 1884 C ALA B 112 5.130 3.121 -1.492 1.00 44.34 C ATOM 1885 O ALA B 112 5.159 4.256 -1.018 1.00 24.52 O ATOM 1886 CB ALA B 112 3.136 2.341 -2.799 1.00 4.33 C ATOM 0 H ALA B 112 4.955 1.054 -3.826 1.00 72.35 H new ATOM 0 HA ALA B 112 4.539 3.824 -3.416 1.00 41.10 H new ATOM 0 HB1 ALA B 112 2.517 3.046 -2.244 1.00 4.33 H new ATOM 0 HB2 ALA B 112 2.733 2.218 -3.804 1.00 4.33 H new ATOM 0 HB3 ALA B 112 3.137 1.378 -2.288 1.00 4.33 H new ATOM 1892 N LEU B 113 5.631 2.063 -0.871 1.00 33.43 N ATOM 1893 CA LEU B 113 6.189 2.113 0.469 1.00 23.45 C ATOM 1894 C LEU B 113 7.388 3.033 0.540 1.00 50.21 C ATOM 1895 O LEU B 113 7.478 3.868 1.432 1.00 21.23 O ATOM 1896 CB LEU B 113 6.606 0.684 0.880 1.00 32.41 C ATOM 1897 CG LEU B 113 7.711 0.535 1.947 1.00 61.44 C ATOM 1898 CD1 LEU B 113 7.316 1.141 3.282 1.00 11.43 C ATOM 1899 CD2 LEU B 113 8.101 -0.923 2.101 1.00 70.53 C ATOM 0 H LEU B 113 5.661 1.134 -1.291 1.00 33.43 H new ATOM 0 HA LEU B 113 5.433 2.505 1.149 1.00 23.45 H new ATOM 0 HB2 LEU B 113 5.718 0.168 1.244 1.00 32.41 H new ATOM 0 HB3 LEU B 113 6.934 0.160 -0.018 1.00 32.41 H new ATOM 0 HG LEU B 113 8.578 1.096 1.598 1.00 61.44 H new ATOM 0 HD11 LEU B 113 8.129 1.009 3.996 1.00 11.43 H new ATOM 0 HD12 LEU B 113 7.115 2.205 3.154 1.00 11.43 H new ATOM 0 HD13 LEU B 113 6.420 0.645 3.656 1.00 11.43 H new ATOM 0 HD21 LEU B 113 8.881 -1.013 2.857 1.00 70.53 H new ATOM 0 HD22 LEU B 113 7.230 -1.502 2.408 1.00 70.53 H new ATOM 0 HD23 LEU B 113 8.472 -1.303 1.149 1.00 70.53 H new ATOM 1911 N LYS B 114 8.293 2.901 -0.398 1.00 52.33 N ATOM 1912 CA LYS B 114 9.483 3.728 -0.377 1.00 54.10 C ATOM 1913 C LYS B 114 9.157 5.190 -0.626 1.00 25.41 C ATOM 1914 O LYS B 114 9.746 6.081 0.001 1.00 42.33 O ATOM 1915 CB LYS B 114 10.598 3.174 -1.290 1.00 63.32 C ATOM 1916 CG LYS B 114 10.219 2.968 -2.753 1.00 23.52 C ATOM 1917 CD LYS B 114 11.331 2.254 -3.516 1.00 64.34 C ATOM 1918 CE LYS B 114 11.573 0.857 -2.951 1.00 3.10 C ATOM 1919 NZ LYS B 114 12.685 0.158 -3.617 1.00 33.32 N ATOM 0 H LYS B 114 8.235 2.242 -1.175 1.00 52.33 H new ATOM 0 HA LYS B 114 9.894 3.684 0.632 1.00 54.10 H new ATOM 0 HB2 LYS B 114 11.448 3.855 -1.247 1.00 63.32 H new ATOM 0 HB3 LYS B 114 10.933 2.220 -0.884 1.00 63.32 H new ATOM 0 HG2 LYS B 114 9.300 2.385 -2.815 1.00 23.52 H new ATOM 0 HG3 LYS B 114 10.017 3.933 -3.218 1.00 23.52 H new ATOM 0 HD2 LYS B 114 11.065 2.182 -4.571 1.00 64.34 H new ATOM 0 HD3 LYS B 114 12.250 2.838 -3.458 1.00 64.34 H new ATOM 0 HE2 LYS B 114 11.784 0.933 -1.884 1.00 3.10 H new ATOM 0 HE3 LYS B 114 10.663 0.265 -3.055 1.00 3.10 H new ATOM 0 HZ1 LYS B 114 12.805 -0.785 -3.195 1.00 33.32 H new ATOM 0 HZ2 LYS B 114 12.475 0.059 -4.631 1.00 33.32 H new ATOM 0 HZ3 LYS B 114 13.561 0.706 -3.497 1.00 33.32 H new ATOM 1933 N ILE B 115 8.191 5.427 -1.498 1.00 54.11 N ATOM 1934 CA ILE B 115 7.708 6.777 -1.754 1.00 1.24 C ATOM 1935 C ILE B 115 7.125 7.368 -0.462 1.00 2.41 C ATOM 1936 O ILE B 115 7.455 8.478 -0.073 1.00 64.12 O ATOM 1937 CB ILE B 115 6.633 6.807 -2.881 1.00 62.52 C ATOM 1938 CG1 ILE B 115 7.232 6.326 -4.208 1.00 62.35 C ATOM 1939 CG2 ILE B 115 6.041 8.207 -3.038 1.00 5.22 C ATOM 1940 CD1 ILE B 115 6.232 6.228 -5.345 1.00 35.31 C ATOM 0 H ILE B 115 7.724 4.702 -2.042 1.00 54.11 H new ATOM 0 HA ILE B 115 8.554 7.376 -2.091 1.00 1.24 H new ATOM 0 HB ILE B 115 5.828 6.130 -2.597 1.00 62.52 H new ATOM 0 HG12 ILE B 115 8.031 7.007 -4.500 1.00 62.35 H new ATOM 0 HG13 ILE B 115 7.687 5.347 -4.054 1.00 62.35 H new ATOM 0 HG21 ILE B 115 5.294 8.199 -3.831 1.00 5.22 H new ATOM 0 HG22 ILE B 115 5.573 8.511 -2.102 1.00 5.22 H new ATOM 0 HG23 ILE B 115 6.833 8.911 -3.293 1.00 5.22 H new ATOM 0 HD11 ILE B 115 6.738 5.881 -6.246 1.00 35.31 H new ATOM 0 HD12 ILE B 115 5.444 5.524 -5.077 1.00 35.31 H new ATOM 0 HD13 ILE B 115 5.794 7.209 -5.530 1.00 35.31 H new ATOM 1952 N ALA B 116 6.345 6.572 0.232 1.00 44.20 N ATOM 1953 CA ALA B 116 5.694 6.991 1.464 1.00 11.21 C ATOM 1954 C ALA B 116 6.717 7.303 2.533 1.00 70.10 C ATOM 1955 O ALA B 116 6.590 8.269 3.277 1.00 34.45 O ATOM 1956 CB ALA B 116 4.812 5.881 1.968 1.00 53.40 C ATOM 0 H ALA B 116 6.140 5.610 -0.038 1.00 44.20 H new ATOM 0 HA ALA B 116 5.107 7.885 1.251 1.00 11.21 H new ATOM 0 HB1 ALA B 116 4.324 6.194 2.891 1.00 53.40 H new ATOM 0 HB2 ALA B 116 4.055 5.649 1.218 1.00 53.40 H new ATOM 0 HB3 ALA B 116 5.417 4.995 2.160 1.00 53.40 H new ATOM 1962 N TYR B 117 7.727 6.474 2.574 1.00 50.04 N ATOM 1963 CA TYR B 117 8.764 6.497 3.565 1.00 11.22 C ATOM 1964 C TYR B 117 9.706 7.715 3.415 1.00 40.54 C ATOM 1965 O TYR B 117 9.900 8.458 4.369 1.00 51.22 O ATOM 1966 CB TYR B 117 9.504 5.169 3.423 1.00 31.54 C ATOM 1967 CG TYR B 117 10.648 4.902 4.341 1.00 42.44 C ATOM 1968 CD1 TYR B 117 10.445 4.405 5.616 1.00 73.13 C ATOM 1969 CD2 TYR B 117 11.933 5.086 3.903 1.00 52.31 C ATOM 1970 CE1 TYR B 117 11.511 4.110 6.435 1.00 33.41 C ATOM 1971 CE2 TYR B 117 13.008 4.782 4.702 1.00 14.05 C ATOM 1972 CZ TYR B 117 12.791 4.294 5.973 1.00 45.04 C ATOM 1973 OH TYR B 117 13.867 3.962 6.777 1.00 12.24 O ATOM 0 H TYR B 117 7.852 5.732 1.885 1.00 50.04 H new ATOM 0 HA TYR B 117 8.343 6.609 4.564 1.00 11.22 H new ATOM 0 HB2 TYR B 117 8.778 4.367 3.553 1.00 31.54 H new ATOM 0 HB3 TYR B 117 9.874 5.101 2.400 1.00 31.54 H new ATOM 0 HD1 TYR B 117 9.438 4.247 5.973 1.00 73.13 H new ATOM 0 HD2 TYR B 117 12.104 5.477 2.911 1.00 52.31 H new ATOM 0 HE1 TYR B 117 11.342 3.736 7.434 1.00 33.41 H new ATOM 0 HE2 TYR B 117 14.015 4.924 4.338 1.00 14.05 H new ATOM 0 HH TYR B 117 14.702 4.152 6.301 1.00 12.24 H new ATOM 1983 N TYR B 118 10.260 7.932 2.219 1.00 52.41 N ATOM 1984 CA TYR B 118 11.191 9.059 1.993 1.00 3.45 C ATOM 1985 C TYR B 118 10.497 10.406 1.997 1.00 25.43 C ATOM 1986 O TYR B 118 11.074 11.424 2.384 1.00 40.30 O ATOM 1987 CB TYR B 118 12.022 8.844 0.726 1.00 51.32 C ATOM 1988 CG TYR B 118 13.004 7.707 0.887 1.00 74.11 C ATOM 1989 CD1 TYR B 118 14.170 7.886 1.612 1.00 25.42 C ATOM 1990 CD2 TYR B 118 12.759 6.460 0.344 1.00 1.22 C ATOM 1991 CE1 TYR B 118 15.060 6.856 1.798 1.00 72.42 C ATOM 1992 CE2 TYR B 118 13.643 5.420 0.516 1.00 0.00 C ATOM 1993 CZ TYR B 118 14.797 5.624 1.250 1.00 75.33 C ATOM 1994 OH TYR B 118 15.681 4.589 1.453 1.00 10.50 O ATOM 0 H TYR B 118 10.088 7.354 1.396 1.00 52.41 H new ATOM 0 HA TYR B 118 11.877 9.076 2.840 1.00 3.45 H new ATOM 0 HB2 TYR B 118 11.358 8.635 -0.113 1.00 51.32 H new ATOM 0 HB3 TYR B 118 12.562 9.760 0.485 1.00 51.32 H new ATOM 0 HD1 TYR B 118 14.384 8.854 2.040 1.00 25.42 H new ATOM 0 HD2 TYR B 118 11.856 6.299 -0.226 1.00 1.22 H new ATOM 0 HE1 TYR B 118 15.961 7.014 2.372 1.00 72.42 H new ATOM 0 HE2 TYR B 118 13.437 4.453 0.082 1.00 0.00 H new ATOM 0 HH TYR B 118 15.351 3.784 1.002 1.00 10.50 H new ATOM 2004 N LEU B 119 9.265 10.402 1.606 1.00 43.52 N ATOM 2005 CA LEU B 119 8.466 11.614 1.621 1.00 35.04 C ATOM 2006 C LEU B 119 7.887 11.843 3.009 1.00 52.42 C ATOM 2007 O LEU B 119 7.526 12.964 3.363 1.00 34.31 O ATOM 2008 CB LEU B 119 7.331 11.565 0.573 1.00 34.25 C ATOM 2009 CG LEU B 119 7.693 11.840 -0.906 1.00 75.05 C ATOM 2010 CD1 LEU B 119 8.746 10.889 -1.466 1.00 73.24 C ATOM 2011 CD2 LEU B 119 6.444 11.835 -1.768 1.00 30.33 C ATOM 0 H LEU B 119 8.774 9.574 1.268 1.00 43.52 H new ATOM 0 HA LEU B 119 9.121 12.445 1.361 1.00 35.04 H new ATOM 0 HB2 LEU B 119 6.871 10.578 0.626 1.00 34.25 H new ATOM 0 HB3 LEU B 119 6.571 12.288 0.870 1.00 34.25 H new ATOM 0 HG LEU B 119 8.145 12.832 -0.932 1.00 75.05 H new ATOM 0 HD11 LEU B 119 8.949 11.142 -2.507 1.00 73.24 H new ATOM 0 HD12 LEU B 119 9.664 10.980 -0.885 1.00 73.24 H new ATOM 0 HD13 LEU B 119 8.379 9.864 -1.407 1.00 73.24 H new ATOM 0 HD21 LEU B 119 6.717 12.030 -2.805 1.00 30.33 H new ATOM 0 HD22 LEU B 119 5.957 10.862 -1.698 1.00 30.33 H new ATOM 0 HD23 LEU B 119 5.760 12.609 -1.421 1.00 30.33 H new ATOM 2022 N ASN B 120 7.914 10.782 3.809 1.00 23.44 N ATOM 2023 CA ASN B 120 7.220 10.681 5.098 1.00 34.54 C ATOM 2024 C ASN B 120 5.843 11.274 4.988 1.00 23.31 C ATOM 2025 O ASN B 120 5.566 12.385 5.446 1.00 53.04 O ATOM 2026 CB ASN B 120 7.985 11.241 6.311 1.00 0.13 C ATOM 2027 CG ASN B 120 7.295 10.838 7.624 1.00 2.32 C ATOM 2028 OD1 ASN B 120 6.660 9.778 7.702 1.00 41.33 O ATOM 2029 ND2 ASN B 120 7.432 11.628 8.656 1.00 61.11 N ATOM 0 H ASN B 120 8.436 9.938 3.574 1.00 23.44 H new ATOM 0 HA ASN B 120 7.151 9.614 5.309 1.00 34.54 H new ATOM 0 HB2 ASN B 120 9.010 10.869 6.304 1.00 0.13 H new ATOM 0 HB3 ASN B 120 8.040 12.327 6.242 1.00 0.13 H new ATOM 0 HD21 ASN B 120 7.011 11.376 9.550 1.00 61.11 H new ATOM 0 HD22 ASN B 120 7.960 12.496 8.567 1.00 61.11 H new ATOM 2036 N THR B 121 5.052 10.611 4.234 1.00 45.02 N ATOM 2037 CA THR B 121 3.708 10.994 3.987 1.00 24.13 C ATOM 2038 C THR B 121 2.909 9.712 3.900 1.00 75.14 C ATOM 2039 O THR B 121 3.385 8.745 3.294 1.00 45.22 O ATOM 2040 CB THR B 121 3.623 11.786 2.649 1.00 33.24 C ATOM 2041 OG1 THR B 121 4.572 12.869 2.685 1.00 22.11 O ATOM 2042 CG2 THR B 121 2.235 12.364 2.431 1.00 53.13 C ATOM 0 H THR B 121 5.328 9.755 3.752 1.00 45.02 H new ATOM 0 HA THR B 121 3.321 11.640 4.775 1.00 24.13 H new ATOM 0 HB THR B 121 3.844 11.098 1.832 1.00 33.24 H new ATOM 0 HG1 THR B 121 4.526 13.372 1.845 1.00 22.11 H new ATOM 0 HG21 THR B 121 2.212 12.910 1.488 1.00 53.13 H new ATOM 0 HG22 THR B 121 1.505 11.555 2.400 1.00 53.13 H new ATOM 0 HG23 THR B 121 1.991 13.042 3.249 1.00 53.13 H new ATOM 2050 N PRO B 122 1.754 9.635 4.570 1.00 2.53 N ATOM 2051 CA PRO B 122 0.916 8.447 4.543 1.00 62.14 C ATOM 2052 C PRO B 122 0.523 8.075 3.121 1.00 22.43 C ATOM 2053 O PRO B 122 0.230 8.962 2.292 1.00 73.34 O ATOM 2054 CB PRO B 122 -0.324 8.862 5.340 1.00 52.13 C ATOM 2055 CG PRO B 122 0.139 9.970 6.209 1.00 3.21 C ATOM 2056 CD PRO B 122 1.178 10.696 5.418 1.00 22.03 C ATOM 0 HA PRO B 122 1.425 7.574 4.952 1.00 62.14 H new ATOM 0 HB2 PRO B 122 -1.128 9.186 4.680 1.00 52.13 H new ATOM 0 HB3 PRO B 122 -0.711 8.032 5.930 1.00 52.13 H new ATOM 0 HG2 PRO B 122 -0.686 10.632 6.473 1.00 3.21 H new ATOM 0 HG3 PRO B 122 0.553 9.589 7.143 1.00 3.21 H new ATOM 0 HD2 PRO B 122 0.743 11.498 4.821 1.00 22.03 H new ATOM 0 HD3 PRO B 122 1.931 11.150 6.062 1.00 22.03 H new ATOM 2064 N LEU B 123 0.511 6.777 2.846 1.00 62.42 N ATOM 2065 CA LEU B 123 0.125 6.244 1.546 1.00 13.13 C ATOM 2066 C LEU B 123 -1.230 6.750 1.127 1.00 71.12 C ATOM 2067 O LEU B 123 -1.435 7.051 -0.028 1.00 53.41 O ATOM 2068 CB LEU B 123 0.096 4.715 1.571 1.00 34.12 C ATOM 2069 CG LEU B 123 1.435 4.008 1.582 1.00 42.20 C ATOM 2070 CD1 LEU B 123 1.238 2.517 1.769 1.00 13.21 C ATOM 2071 CD2 LEU B 123 2.165 4.285 0.286 1.00 35.04 C ATOM 0 H LEU B 123 0.771 6.060 3.523 1.00 62.42 H new ATOM 0 HA LEU B 123 0.871 6.584 0.827 1.00 13.13 H new ATOM 0 HB2 LEU B 123 -0.462 4.400 2.453 1.00 34.12 H new ATOM 0 HB3 LEU B 123 -0.463 4.371 0.701 1.00 34.12 H new ATOM 0 HG LEU B 123 2.032 4.383 2.413 1.00 42.20 H new ATOM 0 HD11 LEU B 123 2.208 2.020 1.775 1.00 13.21 H new ATOM 0 HD12 LEU B 123 0.730 2.333 2.716 1.00 13.21 H new ATOM 0 HD13 LEU B 123 0.634 2.124 0.951 1.00 13.21 H new ATOM 0 HD21 LEU B 123 3.129 3.776 0.295 1.00 35.04 H new ATOM 0 HD22 LEU B 123 1.570 3.921 -0.552 1.00 35.04 H new ATOM 0 HD23 LEU B 123 2.323 5.358 0.180 1.00 35.04 H new ATOM 2082 N GLU B 124 -2.127 6.867 2.087 1.00 41.15 N ATOM 2083 CA GLU B 124 -3.482 7.358 1.860 1.00 25.13 C ATOM 2084 C GLU B 124 -3.501 8.757 1.275 1.00 23.31 C ATOM 2085 O GLU B 124 -4.367 9.076 0.476 1.00 41.22 O ATOM 2086 CB GLU B 124 -4.237 7.342 3.168 1.00 25.40 C ATOM 2087 CG GLU B 124 -4.387 5.960 3.739 1.00 63.30 C ATOM 2088 CD GLU B 124 -4.900 5.973 5.122 1.00 34.03 C ATOM 2089 OE1 GLU B 124 -6.126 6.010 5.314 1.00 53.22 O ATOM 2090 OE2 GLU B 124 -4.071 5.933 6.062 1.00 71.30 O ATOM 0 H GLU B 124 -1.938 6.622 3.059 1.00 41.15 H new ATOM 0 HA GLU B 124 -3.958 6.700 1.133 1.00 25.13 H new ATOM 0 HB2 GLU B 124 -3.718 7.973 3.889 1.00 25.40 H new ATOM 0 HB3 GLU B 124 -5.225 7.777 3.017 1.00 25.40 H new ATOM 0 HG2 GLU B 124 -5.063 5.382 3.109 1.00 63.30 H new ATOM 0 HG3 GLU B 124 -3.421 5.455 3.718 1.00 63.30 H new ATOM 2097 N ASP B 125 -2.587 9.602 1.707 1.00 34.01 N ATOM 2098 CA ASP B 125 -2.499 10.957 1.178 1.00 63.41 C ATOM 2099 C ASP B 125 -1.933 10.958 -0.240 1.00 42.14 C ATOM 2100 O ASP B 125 -2.456 11.634 -1.147 1.00 72.41 O ATOM 2101 CB ASP B 125 -1.677 11.868 2.092 1.00 22.41 C ATOM 2102 CG ASP B 125 -1.634 13.296 1.587 1.00 52.54 C ATOM 2103 OD1 ASP B 125 -2.700 13.933 1.469 1.00 60.45 O ATOM 2104 OD2 ASP B 125 -0.545 13.829 1.333 1.00 14.52 O ATOM 0 H ASP B 125 -1.894 9.380 2.421 1.00 34.01 H new ATOM 0 HA ASP B 125 -3.513 11.356 1.140 1.00 63.41 H new ATOM 0 HB2 ASP B 125 -2.102 11.852 3.096 1.00 22.41 H new ATOM 0 HB3 ASP B 125 -0.661 11.481 2.170 1.00 22.41 H new ATOM 2109 N ILE B 126 -0.896 10.154 -0.430 1.00 25.13 N ATOM 2110 CA ILE B 126 -0.173 10.088 -1.699 1.00 73.13 C ATOM 2111 C ILE B 126 -1.022 9.406 -2.771 1.00 51.12 C ATOM 2112 O ILE B 126 -1.259 9.957 -3.851 1.00 44.15 O ATOM 2113 CB ILE B 126 1.188 9.348 -1.563 1.00 50.03 C ATOM 2114 CG1 ILE B 126 2.040 9.999 -0.463 1.00 75.01 C ATOM 2115 CG2 ILE B 126 1.939 9.378 -2.899 1.00 14.41 C ATOM 2116 CD1 ILE B 126 3.366 9.305 -0.213 1.00 50.54 C ATOM 0 H ILE B 126 -0.530 9.529 0.288 1.00 25.13 H new ATOM 0 HA ILE B 126 0.032 11.116 -1.997 1.00 73.13 H new ATOM 0 HB ILE B 126 0.997 8.311 -1.289 1.00 50.03 H new ATOM 0 HG12 ILE B 126 2.231 11.037 -0.733 1.00 75.01 H new ATOM 0 HG13 ILE B 126 1.468 10.011 0.465 1.00 75.01 H new ATOM 0 HG21 ILE B 126 2.891 8.857 -2.793 1.00 14.41 H new ATOM 0 HG22 ILE B 126 1.339 8.886 -3.665 1.00 14.41 H new ATOM 0 HG23 ILE B 126 2.122 10.412 -3.190 1.00 14.41 H new ATOM 0 HD11 ILE B 126 3.906 9.826 0.577 1.00 50.54 H new ATOM 0 HD12 ILE B 126 3.185 8.274 0.090 1.00 50.54 H new ATOM 0 HD13 ILE B 126 3.960 9.316 -1.127 1.00 50.54 H new ATOM 2128 N PHE B 127 -1.518 8.243 -2.454 1.00 35.15 N ATOM 2129 CA PHE B 127 -2.295 7.487 -3.390 1.00 22.52 C ATOM 2130 C PHE B 127 -3.723 7.451 -2.924 1.00 61.31 C ATOM 2131 O PHE B 127 -4.006 7.307 -1.741 1.00 64.35 O ATOM 2132 CB PHE B 127 -1.746 6.029 -3.515 1.00 0.12 C ATOM 2133 CG PHE B 127 -0.324 5.935 -3.988 1.00 21.33 C ATOM 2134 CD1 PHE B 127 -0.029 5.929 -5.337 1.00 71.31 C ATOM 2135 CD2 PHE B 127 0.717 5.842 -3.077 1.00 50.52 C ATOM 2136 CE1 PHE B 127 1.277 5.837 -5.774 1.00 50.13 C ATOM 2137 CE2 PHE B 127 2.025 5.750 -3.508 1.00 53.10 C ATOM 2138 CZ PHE B 127 2.306 5.747 -4.858 1.00 22.32 C ATOM 0 H PHE B 127 -1.395 7.796 -1.545 1.00 35.15 H new ATOM 0 HA PHE B 127 -2.232 7.962 -4.369 1.00 22.52 H new ATOM 0 HB2 PHE B 127 -1.825 5.540 -2.544 1.00 0.12 H new ATOM 0 HB3 PHE B 127 -2.382 5.473 -4.204 1.00 0.12 H new ATOM 0 HD1 PHE B 127 -0.830 5.997 -6.059 1.00 71.31 H new ATOM 0 HD2 PHE B 127 0.502 5.842 -2.019 1.00 50.52 H new ATOM 0 HE1 PHE B 127 1.494 5.835 -6.832 1.00 50.13 H new ATOM 0 HE2 PHE B 127 2.828 5.680 -2.789 1.00 53.10 H new ATOM 0 HZ PHE B 127 3.329 5.674 -5.198 1.00 22.32 H new ATOM 2148 N GLN B 128 -4.615 7.576 -3.847 1.00 72.24 N ATOM 2149 CA GLN B 128 -5.995 7.532 -3.550 1.00 2.15 C ATOM 2150 C GLN B 128 -6.567 6.293 -4.148 1.00 41.21 C ATOM 2151 O GLN B 128 -6.426 6.032 -5.344 1.00 54.12 O ATOM 2152 CB GLN B 128 -6.727 8.778 -4.059 1.00 43.12 C ATOM 2153 CG GLN B 128 -8.206 8.808 -3.700 1.00 54.21 C ATOM 2154 CD GLN B 128 -8.892 10.079 -4.135 1.00 62.30 C ATOM 2155 OE1 GLN B 128 -8.941 11.059 -3.394 1.00 51.34 O ATOM 2156 NE2 GLN B 128 -9.444 10.084 -5.316 1.00 41.41 N ATOM 0 H GLN B 128 -4.399 7.712 -4.835 1.00 72.24 H new ATOM 0 HA GLN B 128 -6.127 7.517 -2.468 1.00 2.15 H new ATOM 0 HB2 GLN B 128 -6.244 9.665 -3.649 1.00 43.12 H new ATOM 0 HB3 GLN B 128 -6.624 8.832 -5.143 1.00 43.12 H new ATOM 0 HG2 GLN B 128 -8.704 7.956 -4.163 1.00 54.21 H new ATOM 0 HG3 GLN B 128 -8.315 8.694 -2.622 1.00 54.21 H new ATOM 0 HE21 GLN B 128 -9.387 9.256 -5.909 1.00 41.41 H new ATOM 0 HE22 GLN B 128 -9.933 10.916 -5.647 1.00 41.41 H new ATOM 2165 N TRP B 129 -7.179 5.544 -3.337 1.00 13.44 N ATOM 2166 CA TRP B 129 -7.771 4.317 -3.723 1.00 61.35 C ATOM 2167 C TRP B 129 -9.252 4.374 -3.562 1.00 61.52 C ATOM 2168 O TRP B 129 -9.769 4.733 -2.506 1.00 24.43 O ATOM 2169 CB TRP B 129 -7.159 3.154 -2.946 1.00 14.01 C ATOM 2170 CG TRP B 129 -6.691 3.539 -1.573 1.00 34.23 C ATOM 2171 CD1 TRP B 129 -7.450 3.921 -0.501 1.00 3.21 C ATOM 2172 CD2 TRP B 129 -5.337 3.574 -1.142 1.00 53.32 C ATOM 2173 NE1 TRP B 129 -6.637 4.208 0.565 1.00 11.14 N ATOM 2174 CE2 TRP B 129 -5.333 3.988 0.194 1.00 74.31 C ATOM 2175 CE3 TRP B 129 -4.124 3.292 -1.767 1.00 30.24 C ATOM 2176 CZ2 TRP B 129 -4.162 4.124 0.913 1.00 33.44 C ATOM 2177 CZ3 TRP B 129 -2.963 3.429 -1.047 1.00 3.40 C ATOM 2178 CH2 TRP B 129 -2.991 3.839 0.280 1.00 31.53 C ATOM 0 H TRP B 129 -7.293 5.764 -2.348 1.00 13.44 H new ATOM 0 HA TRP B 129 -7.564 4.147 -4.780 1.00 61.35 H new ATOM 0 HB2 TRP B 129 -7.896 2.355 -2.861 1.00 14.01 H new ATOM 0 HB3 TRP B 129 -6.317 2.752 -3.510 1.00 14.01 H new ATOM 0 HD1 TRP B 129 -8.528 3.987 -0.495 1.00 3.21 H new ATOM 0 HE1 TRP B 129 -6.949 4.531 1.481 1.00 11.14 H new ATOM 0 HE3 TRP B 129 -4.098 2.972 -2.798 1.00 30.24 H new ATOM 0 HZ2 TRP B 129 -4.175 4.446 1.944 1.00 33.44 H new ATOM 0 HZ3 TRP B 129 -2.015 3.215 -1.519 1.00 3.40 H new ATOM 0 HH2 TRP B 129 -2.062 3.934 0.822 1.00 31.53 H new ATOM 2189 N GLN B 130 -9.924 4.082 -4.617 1.00 35.50 N ATOM 2190 CA GLN B 130 -11.345 4.046 -4.633 1.00 11.44 C ATOM 2191 C GLN B 130 -11.794 2.630 -4.901 1.00 30.22 C ATOM 2192 O GLN B 130 -11.732 2.169 -6.040 1.00 33.31 O ATOM 2193 CB GLN B 130 -11.883 4.983 -5.712 1.00 44.22 C ATOM 2194 CG GLN B 130 -11.602 6.460 -5.472 1.00 32.13 C ATOM 2195 CD GLN B 130 -12.401 7.053 -4.318 1.00 24.43 C ATOM 2196 OE1 GLN B 130 -12.752 6.372 -3.340 1.00 13.50 O ATOM 2197 NE2 GLN B 130 -12.705 8.314 -4.425 1.00 53.21 N ATOM 0 H GLN B 130 -9.494 3.856 -5.514 1.00 35.50 H new ATOM 0 HA GLN B 130 -11.731 4.376 -3.669 1.00 11.44 H new ATOM 0 HB2 GLN B 130 -11.451 4.696 -6.671 1.00 44.22 H new ATOM 0 HB3 GLN B 130 -12.961 4.841 -5.793 1.00 44.22 H new ATOM 0 HG2 GLN B 130 -10.539 6.591 -5.272 1.00 32.13 H new ATOM 0 HG3 GLN B 130 -11.826 7.017 -6.382 1.00 32.13 H new ATOM 0 HE21 GLN B 130 -12.401 8.844 -5.241 1.00 53.21 H new ATOM 0 HE22 GLN B 130 -13.247 8.772 -3.692 1.00 53.21 H new ATOM 2206 N PRO B 131 -12.174 1.886 -3.851 1.00 63.05 N ATOM 2207 CA PRO B 131 -12.682 0.518 -3.991 1.00 13.14 C ATOM 2208 C PRO B 131 -14.151 0.539 -4.404 1.00 44.11 C ATOM 2209 O PRO B 131 -14.745 -0.489 -4.763 1.00 4.41 O ATOM 2210 CB PRO B 131 -12.537 -0.076 -2.572 1.00 11.15 C ATOM 2211 CG PRO B 131 -11.864 0.982 -1.744 1.00 34.32 C ATOM 2212 CD PRO B 131 -12.105 2.287 -2.439 1.00 62.43 C ATOM 0 HA PRO B 131 -12.149 -0.056 -4.749 1.00 13.14 H new ATOM 0 HB2 PRO B 131 -13.511 -0.335 -2.157 1.00 11.15 H new ATOM 0 HB3 PRO B 131 -11.945 -0.991 -2.591 1.00 11.15 H new ATOM 0 HG2 PRO B 131 -12.271 1.000 -0.733 1.00 34.32 H new ATOM 0 HG3 PRO B 131 -10.796 0.782 -1.654 1.00 34.32 H new ATOM 0 HD2 PRO B 131 -13.029 2.760 -2.106 1.00 62.43 H new ATOM 0 HD3 PRO B 131 -11.299 2.998 -2.258 1.00 62.43 H new